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 MMP13,1637,P45452,Human,batimastat,5145,,5362422,CNC(=O)[C@@H](NC(=O)[C@@H]([C@@H](C(=O)NO)CSc1cccs1)CC(C)C)Cc1ccccc1,"InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1",XFILPEOLDIKJHX-QYZOEREBSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.3,,IC50,,5.0,,=,,,,12877590, MMP13,1637,P45452,Human,CL82198,5170,,2777,O=C(c1cc2c(o1)cccc2)NCCCCN1CCOCC1,"InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)",KUJQEQAVMNFFAO-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,, MMP13,1637,P45452,Human,marimastat,5220,,119031,ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O,"InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1",OCSMOTCMPXTDND-OUAUKWLOSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.7,,IC50,,2.0,,=,,,,37158732, MMP13,1637,P45452,Human,WAY170523,5288,,9830392,ONC(=O)c1cc(C)cc(c1N(S(=O)(=O)c1ccc(cc1)OCCNC(=O)c1cc2c(o1)cccc2)Cc1ccccc1)C,"InChI=1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)",FARMEEAGJWMFSZ-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,,,,,,,,,=,,,,, MMP13,1637,P45452,Human,apratastat,6482,,11452716,OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C,"InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1",MAVDNGWEBZTACC-HNNXBMFYSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.1,,IC50,,8.0,,=,,,,16426848, MMP13,1637,P45452,Human,prinomastat,6505,,466151,ONC(=O)[C@@H]1N(CCSC1(C)C)S(=O)(=O)c1ccc(cc1)Oc1ccncc1,"InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1",YKPYIPVDTNNYCN-INIZCTEOSA-N,Inhibitor,Inhibition,,,,,pIC50,,10.4,,IC50,,0.038,,=,,,,16789888, MMP13,1637,P45452,Human,compound 1 [PMID: 17935984],6526,,657061,CCOCCC1(Oc2ccc(cc2)Oc2ccc(cc2)F)C(=O)NC(=O)NC1=O,"InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)",XRSYNYGEEYTXJV-UHFFFAOYSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.2,,IC50,,0.6,,=,,,,17935984, MMP13,1637,P45452,Human,ilomastat,7409,,132519,ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C,"InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1",NITYDPDXAAFEIT-DYVFJYSZSA-N,Inhibitor,Inhibition,,,,,pIC50,,9.55,,IC50,,0.28,,=,,,,35687819, MMP13,1637,P45452,Human,AZD6605,7823,,11641563,FC(C(Oc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)C[C@@]1(C)NC(=O)NC1=O)(F)F)F,"InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1",SBVAXUGOISPYPX-QGZVFWFLSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,8.3,,IC50,,5.0,,=,,,,, MMP13,1637,P45452,Human,SL422,8629,,10344307,CNC(=O)CNC(=O)[C@@H]1Cc2ccc(cc2)OCCC[C@@H]([C@H](C(=O)N1)CC(C)C)C(=O)NO,"InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-16-8-6-15(7-9-16)12-19(26-21(18)29)23(31)25-13-20(28)24-3/h6-9,14,17-19,32H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t17-,18+,19-/m0/s1",HFAGTNGCAZYYLZ-OTWHNJEPSA-N,Inhibitor,Inhibition,,,,,pKi,,9.35,,Ki,,0.45,,=,,,,11472217, MMP13,1637,P45452,Human,compound 15 [PMID: 22017539],8636,,45376872,CCOC(=O)c1[nH]c2c(c1)cc(cc2)c1cc(nn1C)C(=O)NCc1ccc(cc1)C(=O)O,"InChI=1S/C24H22N4O5/c1-3-33-24(32)20-11-17-10-16(8-9-18(17)26-20)21-12-19(27-28(21)2)22(29)25-13-14-4-6-15(7-5-14)23(30)31/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,30,31)",MMJPVSDTLGFIQW-UHFFFAOYSA-N,Inhibitor,Inhibition,,,yes,,pIC50,,9.0,,IC50,,1.0,,=,,,,22017539, MMP13,1637,P45452,Human,PF-152,9014,,25183622,OC[C@@H]1CO[C@H](CO1)Cn1nnc(n1)c1nc(C)nc(c1)C(=O)NCc1ccc(c(c1)OC)F,"InChI=1S/C21H24FN7O5/c1-12-24-17(20-26-28-29(27-20)8-14-10-34-15(9-30)11-33-14)6-18(25-12)21(31)23-7-13-3-4-16(22)19(5-13)32-2/h3-6,14-15,30H,7-11H2,1-2H3,(H,23,31)/t14-,15+/m0/s1",SKEAGJWUKCNICJ-LSDHHAIUSA-N,Inhibitor,Inhibition,,,,,pIC50,,8.82,,IC50,,1.5,,=,,,,26653735, MMP13,1637,P45452,Human,TP0556351,12057,,163410393,CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(=O)N)cc1)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1CC(=O)N,"InChI=1S/C50H70N10O16/c1-28(2)25-37(49(74)59(3)38(18-20-42(65)66)50(75)60-24-6-7-31(60)26-39(52)61)58-47(72)35(21-22-51)56-48(73)36(27-43(67)68)57-46(71)34(17-19-41(63)64)55-40(62)8-4-5-23-54-45(70)30-11-15-33(16-12-30)76-32-13-9-29(10-14-32)44(53)69/h9-16,28,31,34-38H,4-8,17-27,51H2,1-3H3,(H2,52,61)(H2,53,69)(H,54,70)(H,55,62)(H,56,73)(H,57,71)(H,58,72)(H,63,64)(H,65,66)(H,67,68)/t31-,34-,35-,36-,37-,38-/m0/s1",FVDPKGPPYGTKTO-DLXWRWKMSA-N,Inhibitor,Inhibition,,,,,pIC50,,6.76,,IC50,,174.0,,=,,,,35687819, MMP13,1637,P45452,Human,MMP13 tracer [18F]5j,12669,,168433294,O=C1NC(C(NCC2=CC(C)=C(F)C=C2)=O)=NC3=C1C(=C(C=C3)F)OCC[18F],"InChI=1S/C19H16F3N3O3/c1-10-8-11(2-3-12(10)21)9-23-19(27)17-24-14-5-4-13(22)16(28-7-6-20)15(14)18(26)25-17/h2-5,8H,6-7,9H2,1H3,(H,23,27)(H,24,25,26)/i20-1",MVQCEAOGAKVDKG-LRFGSCOBSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.8,,IC50,,16.0,,=,"Inhibitor potency against human recombinant MMP13, determined using the fluorogenic substrate Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2",,,37158732, MMP13,1637,P45452,Human,[18F]FMBP,12670,,168433295,CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=C(OCC[18F])C=C3)=CC=C1F,"InChI=1S/C23H22F2N4O3/c1-15-10-17(4-7-19(15)25)13-27-23(31)21-11-20(28-14-29-21)22(30)26-12-16-2-5-18(6-3-16)32-9-8-24/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,26,30)(H,27,31)/i24-1",LFPCMFKRSZMPFZ-MIGPCILRSA-N,Inhibitor,Inhibition,,,,,pIC50,,7.25,,IC50,,56.0,,=,,,,34231104,