target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id squalene synthase ,645,P37268,Human,zaragozic acid A,3057,,6438355,CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C,"InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1",DFKDOZMCHOGOBR-NCSQYGPNSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.15,,,,0.7,,=,"in vitro, soluable microsomal enzymes purified from rat and human liver microsomes",,,9473303, squalene synthase ,645,P37268,Human,zaragozic acid A,3057,,6438355,CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C,"InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1",DFKDOZMCHOGOBR-NCSQYGPNSA-N,Inhibitor,Inhibition,,,,,pKi,,9.6,,Ki,,0.25,,=,"Human enzyme expressed in yeast, in vitro assay",,,7864626, squalene synthase ,645,Q02769,Rat,zaragozic acid A,3057,,6438355,CC[C@@H](C[C@@H](/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C)C)C,"InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1",DFKDOZMCHOGOBR-NCSQYGPNSA-N,Inhibitor,Inhibition,,,,,pKi,,10.11,,Ki,,0.078,,=,Compound was tested for inhibition of squalene synthase in rat liver.,,,8419946, squalene synthase ,645,Q02769,Rat,CP-294838,3058,,9889227,OC(=O)CC1OC(c2c(N(C1=O)CC(C)(C)C)ccc(c2)Cl)c1ccccc1Cl,"InChI=1S/C22H23Cl2NO4/c1-22(2,3)12-25-17-9-8-13(23)10-15(17)20(14-6-4-5-7-16(14)24)29-18(21(25)28)11-19(26)27/h4-10,18,20H,11-12H2,1-3H3,(H,26,27)",BHDQOMHFEOHAQK-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.89,,,,130.0,,=,"in vitro, soluable microsomal enzymes purified from rat and human liver microsomes",,,9473303, squalene synthase ,645,Q02769,Rat,ibandronic acid,3059,,60852,CCCCCN(CCC(P(=O)(O)O)(P(=O)(O)O)O)C,"InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)",MPBVHIBUJCELCL-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.19,,IC50,,640.0,,=,Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting,,,20299227, squalene synthase ,645,Q02769,Rat,compound 2d [PMID: 7629799],3060,,10405846,C/C(=C\CCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C,"InChI=1S/C14H28O6P2/c1-12(2)8-7-10-13(3)9-5-4-6-11-14(21(15,16)17)22(18,19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H2,15,16,17)(H2,18,19,20)/b13-9+",JCYZSGYSCXRCHX-UKTHLTGXSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.59,,IC50,,2.6,,=,Inhibition rat liver microsomal squalene synthase,,,7629799, squalene synthase ,645,Q02769,Rat,"compound 17 [Shechter et al., 1996]",3061,,10475079,C[N+](CCCCS(=O)(=O)[O-])(CCCCCCCCCc1ccccc1)C,"InChI=1S/C21H37NO3S/c1-22(2,19-13-14-20-26(23,24)25)18-12-7-5-3-4-6-9-15-21-16-10-8-11-17-21/h8,10-11,16-17H,3-7,9,12-15,18-20H2,1-2H3",MFCJHDHTDIKHEA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.7,,IC50,,2000.0,,=,Inhibitory activity against rat hepatic squalene synthase,,,, squalene synthase ,645,Q02769,Rat,"compound 20 [Shechter et al., 1996]",3062,,10092584,[O-]S(=O)(=O)CCCC[N+](CCCCCc1ccc(cc1)c1ccccc1)(C)C,"InChI=1S/C23H33NO3S/c1-24(2,19-9-10-20-28(25,26)27)18-8-4-5-11-21-14-16-23(17-15-21)22-12-6-3-7-13-22/h3,6-7,12-17H,4-5,8-11,18-20H2,1-2H3",XPCLHFQZYFKTAI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.3,,IC50,,5000.0,,=,Inhibitory activity against rat hepatic squalene synthase,,,, squalene synthase ,645,P37268,Human,compound 6 [PMID: 7629799],3063,,56947056,[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-],"InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4",UQVFFWAGEQWWMP-UHFFFAOYSA-J,Inhibitor,Inhibition,,,,,pIC50,,9.0,,IC50,,1.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,Q02769,Rat,compound 6 [PMID: 7629799],3063,,56947056,[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-],"InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4",UQVFFWAGEQWWMP-UHFFFAOYSA-J,Inhibitor,Inhibition,,,,,pIC50,,9.15,,IC50,,0.7,,=,Inhibition rat liver microsomal squalene synthase. In vivo assay ,,,7629799, squalene synthase ,645,Q02769,Rat,compound 6 [PMID: 7629799],3063,,56947056,[O-]P(=O)(C(P(=O)([O-])[O-])CCCc1ccc(cc1)c1ccccc1)[O-],"InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4",UQVFFWAGEQWWMP-UHFFFAOYSA-J,Inhibitor,Inhibition,,,,,pIC50,,9.15,,IC50,,0.7,,=,Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand,,,8576905, squalene synthase ,645,Q02769,Rat,compound 2e [PMID: 7629799],3064,,10339001,C/C(=C\CCCCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C,"InChI=1S/C15H30O6P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H2,19,20,21)/b14-10+",YCVCYJHGGKYDRH-GXDHUFHOSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.6,,IC50,,2.5,,=,Inhibition rat liver microsomal squalene synthase,,,7629799, squalene synthase ,645,P37268,Human,"compound 1 [Overhand et al., 1997]",3065,,19956992,C/C(=C\CC/C(=C/CC(P(=O)([O-])[O-])P(=O)([O-])[O-])/C)/CCC=C(C)C,"InChI=1S/C16H30O6P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(23(17,18)19)24(20,21)22/h7,9,11,16H,5-6,8,10,12H2,1-4H3,(H2,17,18,19)(H2,20,21,22)/p-4/b14-9+,15-11+",QBAOBDKNTDWTHR-YFVJMOTDSA-J,Inhibitor,Inhibition,,,,,pIC50,,7.74,,IC50,,18.0,,=,Inhibition of Squalene Synthase,,,, squalene synthase ,645,Q02769,Rat,"compound 8 [Brinkman et al., 1996]",3066,,9820129,CC(c1ccccc1)CNCCOc1ccc(cc1)/C=C/c1ccccc1,"InChI=1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+",WNJQYWRTNXZZRC-OUKQBFOZSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.05,,IC50,,9.0,,=,Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay,,,, squalene synthase ,645,Q02769,Rat,"compound 7 [Brinkman et al., 1996]",3067,,9905541,C(NCc1ccccc1)COc1ccc(cc1)/C=C/c1ccccc1,"InChI=1S/C23H23NO/c1-3-7-20(8-4-1)11-12-21-13-15-23(16-14-21)25-18-17-24-19-22-9-5-2-6-10-22/h1-16,24H,17-19H2/b12-11+",JULVVHLOSOWTHY-VAWYXSNFSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.05,,IC50,,9.0,,=,Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay,,,, squalene synthase ,645,Q02769,Rat,L-731128,3068,,9889873,CC(CC(C/C=C/c1ccccc1)C)CCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O,"InChI=1S/C25H36O7/c1-18(16-19(2)11-9-14-20-12-6-4-7-13-20)10-5-3-8-15-21(23(28)29)25(32,24(30)31)17-22(26)27/h4,6-7,9,12-14,18-19,21,32H,3,5,8,10-11,15-17H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b14-9+",DSEOFKAKDCUIFI-NTEUORMPSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.12,,IC50,,767.0,,=,In vitro inhibitory activity against rat squalene synthase,,,, squalene synthase ,645,Q02769,Rat,L-731120,3069,,9931928,OC(=O)CC(C(C(=O)O)CCCCC/C(=C/C(Cc1ccccc1)C)/C)(C(=O)O)O,"InChI=1S/C23H32O7/c1-16(13-17(2)14-18-10-6-4-7-11-18)9-5-3-8-12-19(21(26)27)23(30,22(28)29)15-20(24)25/h4,6-7,10-11,13,17,19,30H,3,5,8-9,12,14-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/b16-13+",NLNJIEVMUWDLAZ-DTQAZKPQSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.59,,IC50,,260.0,,=,In vitro inhibitory activity against rat squalene synthase,,,, squalene synthase ,645,P37268,Human,J-104118,3070,,10460101,O=C(C[C@H](C(=O)O)CC(=O)O)N[C@H]([C@H](c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C,"InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1",NBRLADMQSZWKGO-XUEUYAKLSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.28,,IC50,,0.52,,=,Inhibitory activity against HepG2 Squalene Synthase (SQS),,,, squalene synthase ,645,P37268,Human,J-104118,3070,,10460101,O=C(C[C@H](C(=O)O)CC(=O)O)N[C@H]([C@H](c1ccc(c(c1)F)c1ccccc1)Cc1ccc(c(c1)Cl)Cl)C,"InChI=1S/C28H26Cl2FNO5/c1-16(32-26(33)14-20(28(36)37)15-27(34)35)22(11-17-7-10-23(29)24(30)12-17)19-8-9-21(25(31)13-19)18-5-3-2-4-6-18/h2-10,12-13,16,20,22H,11,14-15H2,1H3,(H,32,33)(H,34,35)(H,36,37)/t16-,20-,22+/m0/s1",NBRLADMQSZWKGO-XUEUYAKLSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.14,,IC50,,0.73,,=,Inhibitory activity against HepG2 Squalene Synthase (SQS),,,, squalene synthase ,645,Q02769,Rat,compound 18 [PMID: 18754614],3071,,25108235,CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(cc1)Br,"InChI=1S/C21H24BrNO2/c1-23-14-21(24,25-20-5-3-2-4-19(20)23)17-10-6-15(7-11-17)16-8-12-18(22)13-9-16/h6-13,19-20,24H,2-5,14H2,1H3",CFDRWKHPJHJISG-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.4,,IC50,,4000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 9 [PMID: 18754614],3072,,25147760,CN1CC(O)(OC2C1CCCC2)c1ccc(cc1)c1ccc(s1)Br,"InChI=1S/C19H22BrNO2S/c1-21-12-19(22,23-16-5-3-2-4-15(16)21)14-8-6-13(7-9-14)17-10-11-18(20)24-17/h6-11,15-16,22H,2-5,12H2,1H3",GFRMFVSDSQREBC-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.0,,IC50,,1000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,zaragozic acid C,3073,,11814656,C[C@H](CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C,"InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1",KQMNJFMTGHRJHM-ZFSXNWTMSA-N,Inhibitor,Inhibition,,,,,pKi,,10.4,,Ki,,0.045,,=,Inhibition of rat squalene synthase,,,8419946, squalene synthase ,645,Q02769,Rat,compound 19 [PMID: 18754614],3074,,25108303,Brc1ccc(cc1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2,"InChI=1S/C20H22BrNO2/c21-18-10-6-16(7-11-18)15-4-8-17(9-5-15)20(23)14-22-12-2-1-3-19(22)13-24-20/h4-11,19,23H,1-3,12-14H2",IFRLXVCJEQULMZ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.52,,IC50,,3000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 10 [PMID: 18754614],3075,,25108247,OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1nc2c(s1)cccc2,"InChI=1S/C21H22N2O2S/c24-21(14-23-12-4-3-5-17(23)13-25-21)16-10-8-15(9-11-16)20-22-18-6-1-2-7-19(18)26-20/h1-2,6-11,17,24H,3-5,12-14H2",ZTONOAATDZXAON-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.3,,IC50,,5000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 17 [PMID: 18754614],3076,,25108301,CN1CCOC(C1)(O)c1ccc(cc1)c1ccc(cc1)Br,"InChI=1S/C17H18BrNO2/c1-19-10-11-21-17(20,12-19)15-6-2-13(3-7-15)14-4-8-16(18)9-5-14/h2-9,20H,10-12H2,1H3",NALOOEVGTGAOHW-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.22,,IC50,,6000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,P37268,Human,compound 4g [PMID: 17709461],3077,,44584870,CCOC(=O)Cc1ccc(cc1)C#CC1(O)CN2CCC1CC2,"InChI=1S/C19H23NO3/c1-2-23-18(21)13-16-5-3-15(4-6-16)7-10-19(22)14-20-11-8-17(19)9-12-20/h3-6,17,22H,2,8-9,11-14H2,1H3",YWKVMGDEOUPQGN-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.18,,IC50,,660.0,,=,Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter,,,17709461, squalene synthase ,645,Q02769,Rat,compound 8 [PMID: 18754614],3078,,25108245,CN1CCOC(C1)(O)c1ccc(cc1)c1nc2c(s1)cccc2,"InChI=1S/C18H18N2O2S/c1-20-10-11-22-18(21,12-20)14-8-6-13(7-9-14)17-19-15-4-2-3-5-16(15)23-17/h2-9,21H,10-12H2,1H3",PJEBUKBZVKAKLF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.7,,IC50,,2000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 7 [PMID: 18754614],3079,,44569287,Brc1ccc(s1)c1ccc(cc1)C1(O)OCC2N(C1)CCCC2,"InChI=1S/C18H20BrNO2S/c19-17-9-8-16(23-17)13-4-6-14(7-5-13)18(21)12-20-10-2-1-3-15(20)11-22-18/h4-9,15,21H,1-3,10-12H2",NQOYZHHHGSRJGT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.15,,IC50,,7000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 4 [PMID: 18754614],3080,,25108105,OC1(OCC2N(C1)CCCC2)c1ccc(cc1)c1cccs1,"InChI=1S/C18H21NO2S/c20-18(13-19-10-2-1-4-16(19)12-21-18)15-8-6-14(7-9-15)17-5-3-11-22-17/h3,5-9,11,16,20H,1-2,4,10,12-13H2",DXCCBGQUDIVOAH-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.15,,IC50,,7000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 5 [PMID: 18754614],3081,,25108103,CN1CCOC(C1)(O)c1ccc(cc1)c1cccs1,"InChI=1S/C15H17NO2S/c1-16-8-9-18-15(17,11-16)13-6-4-12(5-7-13)14-3-2-10-19-14/h2-7,10,17H,8-9,11H2,1H3",KXFMAIULBLABNA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.3,,IC50,,5000.0,,=,Inhibition of squalene synthase in rat liver microsome measured by convertion of [3H]FPP to squalene,,,18754614, squalene synthase ,645,Q02769,Rat,compound 5d [PMID: 7966163],3082,,44352892,CCCCCCCCCCOC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C,"InChI=1S/C36H50O15/c1-5-6-7-8-9-10-11-15-20-47-33(45)49-28-27(38)34(50-29(30(39)40)35(46,31(41)42)36(28,51-34)32(43)44)19-18-22(2)26(48-24(4)37)23(3)21-25-16-13-12-14-17-25/h12-14,16-17,23,26-29,38,46H,2,5-11,15,18-21H2,1,3-4H3,(H,39,40)(H,41,42)(H,43,44)/t23-,26-,27-,28-,29?,34?,35?,36?/m1/s1",PDGYNYIQKDRVIT-JCIOCXPTSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.4,,IC50,,0.04,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,compound 6c [PMID: 7966163],3083,,44352782,CCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C,"InChI=1S/C37H54O13/c1-5-6-7-8-9-10-11-12-13-17-22-47-30-29(39)35(49-31(32(40)41)36(46,33(42)43)37(30,50-35)34(44)45)21-20-24(2)28(48-26(4)38)25(3)23-27-18-15-14-16-19-27/h14-16,18-19,25,28-31,39,46H,2,5-13,17,20-23H2,1,3-4H3,(H,40,41)(H,42,43)(H,44,45)/t25-,28-,29-,30-,31?,35?,36?,37?/m1/s1",VGNCBRNRHXEODV-XXVHXNRLSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.92,,IC50,,0.12,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,P37268,Human,compound 3a [PMID: 12238936],3085,,11082054,COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C,"InChI=1S/C26H31ClN2O8/c1-26(2,14-30)13-29-18-9-8-15(27)10-17(18)23(16-6-5-7-19(35-3)24(16)36-4)37-20(25(29)34)11-21(31)28-12-22(32)33/h5-10,20,23,30H,11-14H2,1-4H3,(H,28,31)(H,32,33)/t20-,23-/m1/s1",CONNCFGSWRVAOP-NFBKMPQASA-N,Inhibitor,Inhibition,,,,,pIC50,,7.82,,IC50,,15.0,,=,Inhibition of squalene synthase from human hepatoma cells (HepG2). *this value also obtained for rat liver enzyme for this compound,,,12238936, squalene synthase ,645,Q02769,Rat,compound 6d [PMID: 7966163],3086,,44352887,CCCCCCCCCCCCCCO[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCC(=C)[C@H]([C@@H](Cc1ccccc1)C)OC(=O)C,"InChI=1S/C39H58O13/c1-5-6-7-8-9-10-11-12-13-14-15-19-24-49-32-31(41)37(51-33(34(42)43)38(48,35(44)45)39(32,52-37)36(46)47)23-22-26(2)30(50-28(4)40)27(3)25-29-20-17-16-18-21-29/h16-18,20-21,27,30-33,41,48H,2,5-15,19,22-25H2,1,3-4H3,(H,42,43)(H,44,45)(H,46,47)/t27-,30-,31-,32-,33?,37?,38?,39?/m1/s1",UXKLQDCALAWFIU-VKNDCNMPSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.05,,IC50,,0.09,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,"compound 1e [Brown et al., 1997]",3089,,44370557,C=CCc1cc(CCCC(=O)OC)ccc1C#CC1(O)CN2CCC1CC2,"InChI=1S/C23H29NO3/c1-3-5-20-16-18(6-4-7-22(25)27-2)8-9-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,8-9,16,21,26H,1,4-7,11-12,14-15,17H2,2H3",HHTIXSHHLJGQCQ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,8.7,,Ki,,2.0,,=,Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS),,,, squalene synthase ,645,Q02769,Rat,compound 4e [PMID: 7966163],3090,,44352889,CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)NCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O,"InChI=1S/C43H57NO15/c1-28(33(56-30(3)45)29(2)27-31-19-13-11-14-20-31)23-24-41-34(46)35(43(59-41,39(51)52)42(54,38(49)50)36(58-41)37(47)48)57-40(53)44-25-17-9-7-5-4-6-8-10-18-26-55-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,46,54H,1,4-10,17-18,23-27H2,2-3H3,(H,44,53)(H,47,48)(H,49,50)(H,51,52)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1",QOLHWXNSCZGWHK-BWBORTOCSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.15,,IC50,,0.07,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,compound 5d [PMID: 7966163],3091,,44352756,CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O,"InChI=1S/C43H56O16/c1-28(33(56-30(3)44)29(2)27-31-19-13-11-14-20-31)23-24-41-34(45)35(43(59-41,39(50)51)42(53,38(48)49)36(58-41)37(46)47)57-40(52)55-26-18-10-8-6-4-5-7-9-17-25-54-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,45,53H,1,4-10,17-18,23-27H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t29-,33-,34-,35-,36?,41?,42?,43?/m1/s1",JJAXJXFYWFJTKF-BWBORTOCSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.4,,IC50,,0.04,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,compound 15 [PMID: 8709131],3092,,19077549,C(=C\c1ccc(cc1)c1ccccc1)/C1CN2CCC1CC2,"InChI=1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+",OBORHRVWTIDYCG-DHZHZOJOSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.4,,IC50,,4.0,,=,In vitro inhibition against rat microsomal squalene synthase (SS),,,8709131, squalene synthase ,645,Q02769,Rat,compound 17 [PMID: 8709131],3093,,19077556,C(C1CN2CCC1CC2)Cc1ccc(cc1)c1ccccc1,"InChI=1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2",DZTCLALNSKOSGM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,=,In vitro inhibition against rat microsomal squalene synthase (SS),,,8709131, squalene synthase ,645,Q02769,Rat,compound 4 [PMID: 8709131],3094,,9795241,c1ccc(cc1)c1ccc(cc1)C1CN2CCC1CC2,"InChI=1S/C19H21N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,18-19H,10-14H2",ONKAPNPOBBUQAF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.96,,IC50,,11.0,,=,In vitro inhibition against rat microsomal squalene synthase (SS),,,8709131, squalene synthase ,645,Q02769,Rat,compound 23 [PMID: 8709131],3095,,19077552,OC1(CN2CCC1CC2)C#Cc1ccc(cc1)c1ccccc1,"InChI=1S/C21H21NO/c23-21(16-22-14-11-20(21)12-15-22)13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,20,23H,11-12,14-16H2",MWHQFRXYYJSIFR-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.52,,IC50,,3.0,,=,In vitro inhibition against rat microsomal squalene synthase (SS),,,8709131, squalene synthase ,645,Q02769,Rat,compound 11 [PMID: 7473541],3096,,12238216,CCOC(=O)c1ccc(cc1)OCC(CNC(C)C)O,"InChI=1S/C15H23NO4/c1-4-19-15(18)12-5-7-14(8-6-12)20-10-13(17)9-16-11(2)3/h5-8,11,13,16-17H,4,9-10H2,1-3H3",SLTRHTRCERUIHA-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.85,,IC50,,1400.0,,=,Inhibition of rat microsomal squalene synthase,,,7473541, squalene synthase ,645,Q02769,Rat,"compound 4 [Brinkman et al., 1996]",3097,,9928892,CC(c1ccccc1)CNCCOc1ccc(cc1)OCc1ccccc1,"InChI=1S/C24H27NO2/c1-20(22-10-6-3-7-11-22)18-25-16-17-26-23-12-14-24(15-13-23)27-19-21-8-4-2-5-9-21/h2-15,20,25H,16-19H2,1H3",MDMYMJUIQIOGGF-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.0,,IC50,,10.0,,=,Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay,,,, squalene synthase ,645,Q02769,Rat,compound 5m [PMID: 9216829],3098,,10818542,CC(CN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CC(C)C)C(=O)O)Cc1ccc(cc1)Oc1ccccc1)C,"InChI=1S/C42H46N2O8/c1-27(2)23-43(25-29-15-19-33(20-16-29)51-31-11-7-5-8-12-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(24-28(3)4)26-30-17-21-34(22-18-30)52-32-13-9-6-10-14-32/h5-22,27-28,35-38H,23-26H2,1-4H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1",ZXCUOCHXNYWBBG-ZQWQDMLBSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.85,,IC50,,14.0,,=,In vitro inhibitory activity against Squalene Synthase,,,9216829, squalene synthase ,645,Q02769,Rat,compound 5j [PMID: 9216829],3099,,10699948,CCCCN(C(=O)[C@@H]1[C@H](C(=O)O)[C@H]([C@H]1C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCCC)C(=O)O)Cc1ccc(cc1)Oc1ccccc1,"InChI=1S/C42H46N2O8/c1-3-5-25-43(27-29-17-21-33(22-18-29)51-31-13-9-7-10-14-31)39(45)35-36(38(42(49)50)37(35)41(47)48)40(46)44(26-6-4-2)28-30-19-23-34(24-20-30)52-32-15-11-8-12-16-32/h7-24,35-38H,3-6,25-28H2,1-2H3,(H,47,48)(H,49,50)/t35-,36-,37-,38-/m0/s1",GNPHAOQLHRZODS-ZQWQDMLBSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.89,,IC50,,13.0,,=,In vitro inhibitory activity against Squalene Synthase. Enzyme from rat liver microsomes. ,,,9216829, squalene synthase ,645,Q02769,Rat,compound 7 [PMID: 8496919],3100,,10358175,C/C(=C\CNCc1cccnc1)/CC/C=C(/CCC=C(C)C)\C,"InChI=1S/C21H32N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)13-15-23-17-21-12-7-14-22-16-21/h7-8,10,12-14,16,23H,5-6,9,11,15,17H2,1-4H3/b19-10+,20-13+",LOBKJLMNXXPMNQ-OPBVARBZSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.4,,IC50,,4.0,,=,Tested for inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate (PPi),,,8496919, squalene synthase ,645,Q02769,Rat,SQ-34919,3101,,10382597,C/C(=C\CCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C,"InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+",ISMDHWZGHKZNRH-XYOKQWHBSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.0,,IC50,,1.0,,=,Inhibition rat liver microsomal squalene synthase,,,7629799, squalene synthase ,645,Q02769,Rat,SQ-34919,3101,,10382597,C/C(=C\CCCC(P(=O)(O)O)P(=O)(O)O)/CCC=C(C)C,"InChI=1S/C13H26O6P2/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19)/b12-8+",ISMDHWZGHKZNRH-XYOKQWHBSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.0,,IC50,,1.0,,=,Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand,,,8576905, squalene synthase ,645,Q02769,Rat,compound 2a (+) [PMID: 8709131],3102,,9817140,OC1(CN2CCC1CC2)c1ccc(cc1)c1ccccc1,"InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2",WPCQYFUQHBLGAX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.15,,IC50,,7.0,,=,In vitro inhibition against rat microsomal squalene synthase (SS),,,8709131, squalene synthase ,645,P37268,Human,NB-598,3103,,6443223,CCN(Cc1cccc(c1)OCc1scc(c1)c1cscc1)C/C=C/C#CC(C)(C)C,"InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+",KIRGLCXNEVICOG-SOFGYWHQSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.7,,IC50,,20.0,,=,In vitro ability to inhibit cholesterol biosynthesis in HepG2 cells in culture from [14C]-acetate,,,7650673, squalene synthase ,645,P37268,Human,E5700,3104,,56947067,CO[C@@H]1CN(C[C@@H]1O)c1ccc(c(n1)Cc1ccccc1)C#C[C@]1(O)CN2CCC1CC2,"InChI=1S/C26H31N3O3/c1-32-24-17-29(16-23(24)30)25-8-7-20(22(27-25)15-19-5-3-2-4-6-19)9-12-26(31)18-28-13-10-21(26)11-14-28/h2-8,21,23-24,30-31H,10-11,13-18H2,1H3/t23-,24+,26-/m0/s1",NDEOTZXSBKCQLS-GSLIJJQTSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.82,,IC50,,1.5,,=,Inhibition of human recombinant squalene synthase,,,17371809, squalene synthase ,645,P37268,Human,"compound 1c [Brown et al., 1997]",3105,,44275230,CCOC(=O)CCc1ccc(c(c1)CC=C)C#CC1(O)CN2CCC1CC2,"InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3",FBPJEWKDFUWVKV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,7.37,,Ki,,43.0,,=,Tested for its inhibitory activity against human microsomal quinuclidine squalene synthase (SQS),,,, squalene synthase ,645,Q02769,Rat,compound 14 [PMID: 9871507],3106,,44382842,CCCN(C(=O)[C@H]1C[C@H]([C@]([C@H]1C(=O)O)(CC(=O)O)C(=O)O)C(=O)N(Cc1ccc(cc1)Oc1ccccc1)CCC)Cc1ccc(cc1)Oc1ccccc1,"InChI=1S/C43H46N2O10/c1-3-23-44(27-29-15-19-33(20-16-29)54-31-11-7-5-8-12-31)39(48)35-25-36(43(42(52)53,26-37(46)47)38(35)41(50)51)40(49)45(24-4-2)28-30-17-21-34(22-18-30)55-32-13-9-6-10-14-32/h5-22,35-36,38H,3-4,23-28H2,1-2H3,(H,46,47)(H,50,51)(H,52,53)/t35-,36-,38+,43-/m0/s1",SZUVGFMDDVSKSI-WIFOCOSTSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.62,,IC50,,240.0,,=,Compound was tested for inhibition of squalene synthase from rat liver microsomes using [3H]-Farnesyl pyrophosphate (FPP) as substrate,,,9871507, squalene synthase ,645,Q02769,Rat,"compound 16a [Sharratt et al., 1994]",3107,,44373472,CC[C@@H](C[C@@H](/C=C/C(=O)OC[C@]1(O[C@](CCC(=C)[C@H]([C@@H](Cc2ccccc2)C)OC(=O)C)(O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)C(=O)N)C(=O)O)C)C,"InChI=1S/C35H47NO14/c1-7-20(2)17-21(3)13-14-26(38)47-19-33(31(42)43)35(46,32(44)45)28(29(39)40)49-34(50-33,30(36)41)16-15-22(4)27(48-24(6)37)23(5)18-25-11-9-8-10-12-25/h8-14,20-21,23,27-28,46H,4,7,15-19H2,1-3,5-6H3,(H2,36,41)(H,39,40)(H,42,43)(H,44,45)/b14-13+/t20-,21+,23+,27+,28+,33-,34-,35+/m0/s1",TWYYFYNJOJGNFP-CUXYNZQBSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.96,,IC50,,11.0,,=,In vitro inhibitory concentration against squalene synthase from male rat liver microsomes,,,, squalene synthase ,645,P37268,Human,compound 4q [PMID: 7650673],3108,,10411224,CCN(Cc1cccc(c1)OC[Si](c1ccc(cc1)C#N)(C)C)C/C=C/C#CC(C)(C)C,"InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+",LIDUGWDLSDKCLM-CSKARUKUSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.22,,IC50,,60.0,,=,In vitro ability to inhibit cholesterol biosynthesis in HepG2 cells in culture from [14C]-mevalonate.,,,7650673, squalene synthase ,645,Q02769,Rat,compound 1 [PMID: 8496942],3109,,10409462,CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,"InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+",PYSOMVKWLNTIIA-IMGWONPXSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.0,,IC50,,100.0,,=,Inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate in rat liver microsomal assay,,,8496942, squalene synthase ,645,Q02769,Rat,compound 1 [PMID: 8496942],3109,,10409462,CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C,"InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+",PYSOMVKWLNTIIA-IMGWONPXSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.2,,IC50,,6900.0,,=,Inhibitory activity against squalene synthetase in rat liver microsomal assay,,,8496942, squalene synthase ,645,P37268,Human,J-104123,3110,,9848748,C[C@@H](CC(=O)O)CC(=O)N[C@H]([C@@H](Cc1ccc(c(c1)Cl)Cl)/C=C/c1ccc2c(c1)cccc2)C,"InChI=1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1",LVRZMZFXRFKCCY-KSYFVSBMSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.6,,IC50,,2.5,,=,Inhibitory activity against squalene synthase (SQS) obtained from HepG2 cells,,,, squalene synthase ,645,P37268,Human,compound 3f [PMID: 12238936],3111,,11071684,COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)NCCC(=O)O)C(=O)N(c2c1cc(Cl)cc2)CC(CO)(C)C,"InChI=1S/C27H33ClN2O8/c1-27(2,15-31)14-30-19-9-8-16(28)12-18(19)24(17-6-5-7-20(36-3)25(17)37-4)38-21(26(30)35)13-22(32)29-11-10-23(33)34/h5-9,12,21,24,31H,10-11,13-15H2,1-4H3,(H,29,32)(H,33,34)/t21-,24-/m1/s1",PILXQRRCKWZQCO-ZJSXRUAMSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.82,,IC50,,15.0,,=,Inhibition of squalene synthase from human hepatoma cells (HepG2),,,12238936, squalene synthase ,645,Q02769,Rat,compound 19 [PMID: 7473541],3112,,10662370,C=CCc1cc(ccc1OCCCNC(C)C)OC(=O)CC,"InChI=1S/C18H27NO3/c1-5-8-15-13-16(22-18(20)6-2)9-10-17(15)21-12-7-11-19-14(3)4/h5,9-10,13-14,19H,1,6-8,11-12H2,2-4H3",TYOWLIKQVJJCEX-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.3,,IC50,,0.05,,=,Inhibition of rat microsomal squalene synthase,,,7473541, squalene synthase ,645,Q02769,Rat,compound 28 [PMID: 7473541],3113,,44354318,C=CCc1cc(CO/N=C/C)ccc1OCCCNC(C)C,"InChI=1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+",RLGKAOYAKHPRMW-CGOBSMCZSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.7,,IC50,,0.2,,=,Inhibition of rat microsomal squalene synthase,,,7473541, squalene synthase ,645,Q02769,Rat,compound 20 [PMID: 7473541],3114,,10780929,C=CCc1cc(OCCCC)ccc1OCCCNC(C)C,"InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3",BLGFFZRIKMFSOM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.22,,IC50,,0.6,,=,Inhibition of rat microsomal squalene synthase,,,7473541, squalene synthase ,645,Q02769,Rat,compound 21 [PMID: 7473541],3115,,10591006,C=CCc1cc(ccc1OCCCNC(C)C)c1ccccc1,"InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3",CKIDETHAWPUGOQ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,11.4,,,,,,=,Inhibition of rat microsomal squalene synthase,,,7473541, squalene synthase ,645,Q02769,Rat,compound 3f [PMID: 7966163],3116,,44352891,CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O,"InChI=1S/C42H54O15/c1-27(33(54-29(3)43)28(2)26-30-18-12-10-13-19-30)23-24-40-34(45)35(42(57-40,39(50)51)41(52,38(48)49)36(56-40)37(46)47)55-32(44)22-16-8-6-4-5-7-9-17-25-53-31-20-14-11-15-21-31/h10-15,18-21,28,33-36,45,52H,1,4-9,16-17,22-26H2,2-3H3,(H,46,47)(H,48,49)(H,50,51)/t28-,33-,34-,35-,36?,40?,41?,42?/m1/s1",MNIPVWXWSPXERA-IDNZQHFXSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.89,,IC50,,0.13,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,L-735021,3117,,9853075,CC(CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]1[C@@H](O)C2(OC1(C(=O)O)C(O)(C(=O)O)C(O2)C(=O)O)CCCCC(Cc1ccccc1)C,"InChI=1S/C38H48O12/c1-25(16-13-21-27-17-5-3-6-18-27)14-9-10-22-29(39)48-31-30(40)36(23-12-11-15-26(2)24-28-19-7-4-8-20-28)49-32(33(41)42)37(47,34(43)44)38(31,50-36)35(45)46/h3-9,14,17-20,25-26,30-32,40,47H,10-13,15-16,21-24H2,1-2H3,(H,41,42)(H,43,44)(H,45,46)/b14-9+/t25?,26?,30-,31-,32?,36?,37?,38?/m1/s1",ZOTNYZYRJOAANS-OIAIRNFISA-N,Inhibitor,Inhibition,,,,,pIC50,,9.85,,IC50,,0.14,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,Q02769,Rat,compound 6g [PMID: 7966163],3118,,44352896,CC(=O)O[C@@H]([C@@H](Cc1ccccc1)C)C(=C)CCC12OC(C(=O)O)C(C(O1)([C@@H]([C@H]2O)OCCCCCCCCCCCOc1ccccc1)C(=O)O)(O)C(=O)O,"InChI=1S/C42H56O14/c1-28(33(54-30(3)43)29(2)27-31-19-13-11-14-20-31)23-24-40-34(44)35(42(56-40,39(49)50)41(51,38(47)48)36(55-40)37(45)46)53-26-18-10-8-6-4-5-7-9-17-25-52-32-21-15-12-16-22-32/h11-16,19-22,29,33-36,44,51H,1,4-10,17-18,23-27H2,2-3H3,(H,45,46)(H,47,48)(H,49,50)/t29-,33-,34-,35-,36?,40?,41?,42?/m1/s1",QBTROWHSMGZXCV-RQURQNPSSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.22,,IC50,,0.06,,=,Tested for inhibition against squalene synthase enzyme in rat liver,,,7966163, squalene synthase ,645,P37268,Human,compound 21 [PMID: 19191557],3119,,56947054,Fc1ccccc1Oc1cccc(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-],"InChI=1S/C16H18FO7PS/c17-14-8-1-2-9-15(14)24-13-7-3-5-12(11-13)6-4-10-16(25(18,19)20)26(21,22)23/h1-3,5,7-9,11,16H,4,6,10H2,(H2,18,19,20)(H,21,22,23)/p-3",OHYIVSIWKOMZPF-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 15 [PMID: 19456099],3120,,44185382,ONC(=O)C(P(=O)(O)O)CCCc1cccc(c1)Oc1ccccc1,"InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)",HGDWHTASNMRJMP-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.52,,Ki,,300.0,,=,Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintillation,,,19456099, squalene synthase ,645,P37268,Human,BPH-830,3121,,44182294,O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1,"InChI=1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)",GNETVUVZFYJATO-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.28,,Ki,,530.0,,=,Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintillation,,,19456099, squalene synthase ,645,P37268,Human,compound 35 [PMID: 19191557],3122,,56947048,Fc1ccc(cc1)Oc1ccc(c(c1)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])F,"InChI=1S/C16H17F2O7PS/c17-12-4-6-13(7-5-12)25-14-8-9-15(18)11(10-14)2-1-3-16(26(19,20)21)27(22,23)24/h4-10,16H,1-3H2,(H2,19,20,21)(H,22,23,24)/p-3",GNVJUODFQNFGPT-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,8.4,,IC50,,4.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 32 [PMID: 19191557],3123,,56947050,[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccc2c(c1)cco2)[O-],"InChI=1S/C18H19O8PS/c19-27(20,21)18(28(22,23)24)6-2-4-13-3-1-5-15(11-13)26-16-7-8-17-14(12-16)9-10-25-17/h1,3,5,7-12,18H,2,4,6H2,(H2,19,20,21)(H,22,23,24)/p-3",ILJWMHLLBUNHIQ-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,8.7,,IC50,,2.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 19 [PMID: 19191557],3124,,56947058,CCn1c2ccc(cc2c2c1cccc2)CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-],"InChI=1S/C18H22NO6PS/c1-2-19-16-8-4-3-7-14(16)15-12-13(10-11-17(15)19)6-5-9-18(26(20,21)22)27(23,24)25/h3-4,7-8,10-12,18H,2,5-6,9H2,1H3,(H2,20,21,22)(H,23,24,25)/p-3",ZZMVEURNXXVJQQ-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,4.93,,IC50,,11700.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 14 [PMID: 19191557],3125,,56947013,[O-]P(=O)(C(S(=O)(=O)[O-])Cc1cccc(c1)Oc1ccccc1)[O-],"InChI=1S/C14H15O7PS/c15-22(16,17)14(23(18,19)20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,15,16,17)(H,18,19,20)/p-3",QZTDQEVQGQAOKB-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,5.43,,IC50,,3700.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 3 [PMID: 19191557],3126,,56947011,FC(c1ccc(cc1)c1ccc(cc1)CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-])(F)F,"InChI=1S/C17H19F3O6P2/c18-17(19,20)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(27(21,22)23)28(24,25)26/h4-11,16H,1-3H2,(H2,21,22,23)(H2,24,25,26)/p-4",UPZLJSDZIBONGH-UHFFFAOYSA-J,Inhibitor,Inhibition,,,,,pIC50,,8.52,,IC50,,3.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,P37268,Human,compound 13 [PMID: 19456099],3127,,44185378,O=C(C(P(=O)(O)O)(C)C)NCCCc1cccc(c1)Oc1ccccc1,"InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)",AGJZDRXKAQZWEP-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pKi,,6.28,,Ki,,520.0,,=,Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintillation,,,19456099, squalene synthase ,645,P37268,Human,compound 8 [PMID: 19191557],3128,,56947052,[O-]P(=O)(C(S(=O)(=O)[O-])CCCc1cccc(c1)Oc1ccccc1Cc1ccccc1)[O-],"InChI=1S/C23H25O7PS/c24-31(25,26)23(32(27,28)29)15-7-11-19-10-6-13-21(17-19)30-22-14-5-4-12-20(22)16-18-8-2-1-3-9-18/h1-6,8-10,12-14,17,23H,7,11,15-16H2,(H2,24,25,26)(H,27,28,29)/p-3",ZMOCESLEEQXYRI-UHFFFAOYSA-K,Inhibitor,Inhibition,,,,,pIC50,,8.52,,IC50,,3.0,,=,"Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite by liquid scintillation",,,19191557, squalene synthase ,645,Q02769,Rat,compound 4 [PMID: 8576905],3129,,56947060,C/C(=C\CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)\C,"InChI=1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+",GAGCDEGBGYUQJJ-QKXOVSGLSA-K,Inhibitor,Inhibition,,,,,pIC50,,7.82,,IC50,,15.0,,=,Inhibitory activity against rat liver microsomal squalene synthase was determined using [3H]-FPP as radioligand,,,8576905, squalene synthase ,645,Q02769,Rat,"compound 12 [Wattanasin et al.,1997]",3130,,56947012,C/C(=C\COc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)/CCC=C(C)C,"InChI=1S/C22H32N2O5/c1-16(2)8-6-9-17(3)12-13-29-19-11-7-10-18(14-19)15-23-21(27)24(28)22(4,5)20(25)26/h7-8,10-12,14,28H,6,9,13,15H2,1-5H3,(H,23,27)(H,25,26)/p-1/b17-12+",NOJVBPONEXVKGV-SFQUDFHCSA-M,Inhibitor,Inhibition,,,,,pIC50,,6.77,,IC50,,170.0,,=,The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 1.2 mM NADPH and 1.0 mM inorganic pyrophosphate. In vitro assay. ,,,, squalene synthase ,645,Q02769,Rat,"compound 12 [Wattanasin et al.,1997]",3130,,56947012,C/C(=C\COc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)/CCC=C(C)C,"InChI=1S/C22H32N2O5/c1-16(2)8-6-9-17(3)12-13-29-19-11-7-10-18(14-19)15-23-21(27)24(28)22(4,5)20(25)26/h7-8,10-12,14,28H,6,9,13,15H2,1-5H3,(H,23,27)(H,25,26)/p-1/b17-12+",NOJVBPONEXVKGV-SFQUDFHCSA-M,Inhibitor,Inhibition,,,,,pIC50,,6.64,,IC50,,230.0,,=,Inhibitory activity against squalene synthase using rat liver microsomal assay,,,, squalene synthase ,645,Q02769,Rat,"compound 15 [Biller et al., 1993]",3131,,44370656,CC(=CCC/C(=C/c1ccc(cc1)COCP(=O)(CP(=O)(O)O)O)/C)C,"InChI=1S/C18H28O6P2/c1-15(2)5-4-6-16(3)11-17-7-9-18(10-8-17)12-24-13-25(19,20)14-26(21,22)23/h5,7-11H,4,6,12-14H2,1-3H3,(H,19,20)(H2,21,22,23)/b16-11+",HEPFCZUDKRBZIK-LFIBNONCSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.9,,IC50,,125.0,,=,Tested for inhibitory potency against rat liver microsomal squalene synthase,,,, squalene synthase ,645,Q02769,Rat,"compound 6 [Biller et al., 1991]",3132,,44370654,C/C(=C\COCP(=O)(CP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C,"InChI=1S/C17H32O6P2/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-23-13-24(18,19)14-25(20,21)22/h7,9,11H,5-6,8,10,12-14H2,1-4H3,(H,18,19)(H2,20,21,22)/b16-9-,17-11+",NQSFGDNIHNVCHW-KKYJLSSQSA-N,Inhibitor,Inhibition,,,,,pKi,,7.43,,Ki,,37.0,,=,Tested for inhibitory potency against rat liver microsomal squalene synthase,,,, squalene synthase ,645,Q02769,Rat,compound 20 [PMID: 20299227],3133,,46866079,OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1,"InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)",PSWFNEHHRVMWEJ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,5.43,,IC50,,3710.0,,=,Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting,,,20299227, squalene synthase ,645,Q02769,Rat,compound 12 [PMID: 20299227],3134,,46885682,OP(=O)(C(P(=O)(O)O)CCCCOc1nonc1c1ccccc1)O,"InChI=1S/C13H18N2O8P2/c16-24(17,18)11(25(19,20)21)8-4-5-9-22-13-12(14-23-15-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,16,17,18)(H2,19,20,21)",NPUHGRMCBDPTIW-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,4.75,,IC50,,17680.0,,=,Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting,,,20299227, squalene synthase ,645,P37268,Human,1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one,3135,,56947004,C=CCc1c(OCCCNC(C)C)ccc2c1c(=O)c1c(o2)cccc1,"InChI=1S/C22H25NO3/c1-4-8-16-18(25-14-7-13-23-15(2)3)11-12-20-21(16)22(24)17-9-5-6-10-19(17)26-20/h4-6,9-12,15,23H,1,7-8,13-14H2,2-3H3",NZEPLPVSYIYMMM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.92,,IC50,,120.0,,=,in vitro. Rat and human liver microsomes assayed using the Amin technique.,,,15498666, squalene synthase ,645,Q02769,Rat,1-allyl-2-[3-(isopropylamino)propoxy]-9H-xanthen-9-one,3135,,56947004,C=CCc1c(OCCCNC(C)C)ccc2c1c(=O)c1c(o2)cccc1,"InChI=1S/C22H25NO3/c1-4-8-16-18(25-14-7-13-23-15(2)3)11-12-20-21(16)22(24)17-9-5-6-10-19(17)26-20/h4-6,9-12,15,23H,1,7-8,13-14H2,2-3H3",NZEPLPVSYIYMMM-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.92,,IC50,,120.0,,=,in vitro. Rat and human liver microsomes assayed using the Amin technique.,,,15498666, squalene synthase ,645,P37268,Human,1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole,3136,,9949081,C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1,"InChI=1S/C21H26N2O/c1-4-8-18-20(24-14-7-13-22-15(2)3)12-11-17-16-9-5-6-10-19(16)23-21(17)18/h4-6,9-12,15,22-23H,1,7-8,13-14H2,2-3H3",UQDMMPHZGIOABI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.49,,IC50,,32.0,,=,in vitro. Rat and human liver microsomes assayed using the Amin technique.,,,15498666, squalene synthase ,645,Q02769,Rat,1-allyl-2-[3-(isopropylamino)propoxy]-9H-carbazole,3136,,9949081,C=CCc1c(OCCCNC(C)C)ccc2c1[nH]c1c2cccc1,"InChI=1S/C21H26N2O/c1-4-8-18-20(24-14-7-13-22-15(2)3)12-11-17-16-9-5-6-10-19(16)23-21(17)18/h4-6,9-12,15,22-23H,1,7-8,13-14H2,2-3H3",UQDMMPHZGIOABI-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.18,,IC50,,66.0,,=,in vitro. Rat and human liver microsomes assayed using the Amin technique.,,,15498666, squalene synthase ,645,P37268,Human,YM-75440,3137,,11372147,C=CCc1c(OCCCNCc2ccccc2)ccc2c1[nH]c1c2cccc1,"InChI=1S/C25H26N2O/c1-2-9-22-24(28-17-8-16-26-18-19-10-4-3-5-11-19)15-14-21-20-12-6-7-13-23(20)27-25(21)22/h2-7,10-15,26-27H,1,8-9,16-18H2",UPGXTVJBIFAVHT-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.2,,,,63.0,,=,in vitro . Rat and human liver microsomes assayed using the Amin techinique,,,15498666, squalene synthase ,645,Q02769,Rat,zaragozic acid B,6061,,9940176,C/C=C/CCCC/C=C/CCCCC(=O)O[C@@H]1[C@@H](O)[C@@]2(O[C@@]1(C(=O)O)[C@](O)(C(=O)O)[C@H](O2)C(=O)O)CCC(C(C(C/C=C/c1ccccc1)C)O)C,"InChI=1S/C39H54O13/c1-4-5-6-7-8-9-10-11-12-13-17-23-29(40)50-32-31(42)37(51-33(34(43)44)38(49,35(45)46)39(32,52-37)36(47)48)25-24-27(3)30(41)26(2)19-18-22-28-20-15-14-16-21-28/h4-5,10-11,14-16,18,20-22,26-27,30-33,41-42,49H,6-9,12-13,17,19,23-25H2,1-3H3,(H,43,44)(H,45,46)(H,47,48)/b5-4+,11-10+,22-18+/t26?,27?,30?,31-,32-,33-,37+,38-,39+/m1/s1",VFZAKIFLDMCTJV-NZHUAJKLSA-N,Inhibitor,Inhibition,,,,,pKi,,10.5,,Ki,,0.029,,=,,,,8419946, squalene synthase ,645,P37268,Human,compound 15a [PMID: 22464687],7578,,57778011,COc1cccc(c1OC)[C@H]1O[C@H](CC(=O)N2CCC(CC2)CC(=O)O)c2n(c3c1cc(Cl)cc3)ccc2,"InChI=1S/C29H31ClN2O6/c1-36-24-7-3-5-20(29(24)37-2)28-21-16-19(30)8-9-22(21)32-12-4-6-23(32)25(38-28)17-26(33)31-13-10-18(11-14-31)15-27(34)35/h3-9,12,16,18,25,28H,10-11,13-15,17H2,1-2H3,(H,34,35)/t25-,28-/m1/s1",MSSQOQPKGAMUSY-LEAFIULHSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.9,,IC50,,1.3,,=,,,,22464687, squalene synthase ,645,P37268,Human,SQ-109,7997,,5274428,C/C(=C\CNCCNC1C2CC3CC1CC(C2)C3)/CCC=C(C)C,"InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+",JFIBVDBTCDTBRH-REZTVBANSA-N,Inhibitor,Inhibition,,,,,pKi,,6.13,,Ki,,740.0,,=,,,,22486710,