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 SMO,239,Q99835,Human,vismodegib,6975,,24776445,O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl,"InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)",BPQMGSKTAYIVFO-UHFFFAOYSA-N,Antagonist,Antagonist,,,yes,,pKi,,7.79,,Ki,,16.2,,=,,,,23063522, SMO,239,Q99835,Human,AZD8542,7716,,53344810,Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C,"InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)",SMQVBAGSZVHCJP-UHFFFAOYSA-N,Antagonist,Antagonist,,,yes,,pIC50,,8.52,,IC50,,3.0,,=,,,,, SMO,239,P56726,Mouse,AZD8542,7716,,53344810,Cn1cnc(c1)c1cc(NC(=O)c2ccc(cc2)OCc2ccccn2)c(cc1C)C,"InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)",SMQVBAGSZVHCJP-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,8.82,,IC50,,1.5,,=,,,,, SMO,239,Q99835,Human,saridegib,8198,,25027363,C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C,"InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1",HZLFFNCLTRVYJG-WWGOJCOQSA-N,Antagonist,Antagonist,,,yes,,pIC50,,8.85,,IC50,,1.4,,=,,,,19522463, SMO,239,Q99835,Human,sonidegib,8199,,24775005,C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F,"InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+",VZZJRYRQSPEMTK-CALCHBBNSA-N,Antagonist,Antagonist,,,yes,,pKi,,8.22,,Ki,,6.0,,=,,,,23063522, SMO,239,P56726,Mouse,TAK-441,8200,,44187367,OCC(=O)N1CCC(CC1)NC(=O)c1c(OCC(F)(F)F)c2c(n1C)cc(n(c2=O)CC(=O)c1ccccc1)CC,"InChI=1S/C28H31F3N4O6/c1-3-19-13-20-23(27(40)35(19)14-21(37)17-7-5-4-6-8-17)25(41-16-28(29,30)31)24(33(20)2)26(39)32-18-9-11-34(12-10-18)22(38)15-36/h4-8,13,18,36H,3,9-12,14-16H2,1-2H3,(H,32,39)",ZADWXQMNNVICKB-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,8.36,,IC50,,4.4,,=,,,,22898254, SMO,239,Q99835,Human,glasdegib,8201,,25166913,N#Cc1ccc(cc1)NC(=O)N[C@@H]1CCN([C@H](C1)c1nc2c([nH]1)cccc2)C,"InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1",SFNSLLSYNZWZQG-VQIMIIECSA-N,Antagonist,Antagonist,,,yes,,pIC50,,8.3,,IC50,,5.0,,=,,,,24900436, SMO,239,Q99835,Human,GSA-10,10326,,54683103,CCCCCCn1c(=O)c(C(=O)Nc2ccc(cc2)C(=O)OCCC)c(c2c1cccc2)O,"InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)",MDLUYYGRCGDKGL-UHFFFAOYSA-N,Allosteric modulator,Positive,,,,,pEC50,,5.92,,EC50,,1200.0,,=,Assessing differentiation of the mesenchymal pluripotent C3H10T1/2 cells into osteoblastsby measuring AP enzymatic activity as a readout for Smo agonist activity.,,,23448715, SMO,239,P56726,Mouse,SAG1.3,10327,,5284330,CNC1CCC(CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1,"InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3",VFSUUTYAEQOIMW-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,8.52,,EC50,,3.0,,=,Measuring Hh pathway activation in Gli-dependent reporter assays in Shh-LIGHT2 cells.,,,12391318, SMO,239,P56726,Mouse,cyclopamine,10328,,442972,O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C,"InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1",QASFUMOKHFSJGL-LAFRSMQTSA-N,Antagonist,Antagonist,,,,,pIC50,,7.0,,IC50,,100.0,,~,Measuring inhibition of Hh pathway signalling in Gli-dependent reporter assays in Shh-LIGHT2 cells.,,,27338657, SMO,239,P56726,Mouse,cyclopamine-KAAD,10329,,4184747,CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2,"InChI=1S/C44H63N3O4/c1-29-25-39-42(47(28-29)24-23-46-40(49)13-9-6-10-22-45-41(50)17-14-32-11-7-5-8-12-32)31(3)44(51-39)21-19-35-36-16-15-33-26-34(48)18-20-43(33,4)38(36)27-37(35)30(44)2/h5,7-8,11-12,15,29,31,35-36,38-39,42H,6,9-10,13-14,16-28H2,1-4H3,(H,45,50)(H,46,49)",WDHRPWOAMDJICD-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,7.7,,,,,,=,Measuring Hh pathway inhibition in Gli-dependent reporter assays in Shh-LIGHT2 cells.,,,10984056, SMO,239,P56726,Mouse,SANT-1,10330,,6878030,Cc1nn(c(c1/C=N/N1CCN(CC1)Cc1ccccc1)C)c1ccccc1,"InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+",FOORCIAZMIWALX-JJIBRWJFSA-N,Antagonist,Antagonist,,,,,pKi,,7.7,,Ki,,20.0,,=,In Gli-dependent reporter assays in Shh-LIGHT2 cells.,,,12391318, SMO,239,P56726,Mouse,SANT-2,10331,,1367095,CCOc1c(OCC)cc(cc1OCC)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cccc2)Cl,"InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)",VQOJFGFKIVFMDH-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,7.52,,IC50,,30.0,,=,In Gli-dependent reporter assays in Shh-LIGHT2 cells.,,,12391318, SMO,239,Q99835,Human,MRT-92,10332,,136235465,COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)CCc1ccccc1)C,"InChI=1S/C33H34N4O5/c1-21-10-17-26(35-33(34)37-32(39)25-18-28(40-2)30(42-4)29(19-25)41-3)20-27(21)36-31(38)24-15-13-23(14-16-24)12-11-22-8-6-5-7-9-22/h5-10,13-20H,11-12H2,1-4H3,(H,36,38)(H3,34,35,37,39)",TVUOHEUCOWBVRU-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKd,,9.52,,Kd,,0.3,,=,Binding of [3H]MRT-92 to hSMO.,,,25636740, SMO,239,Q99835,Human,taladegib,10333,,49848070,Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C,"InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3",SZBGQDXLNMELTB-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,8.2,,IC50,,6.3,,=,Gli-luc reporter assay.,,,28688278, SMO,239,P56726,Mouse,ANTA XV,10334,,24905375,CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C,"InChI=1S/C27H29N5O/c1-27(2,33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19,33H,14-18H2,1-2H3",KSWYJUIFHPSZOL-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,8.15,,IC50,,7.1,,=,Gli-luc reporter assay.,,,27180012, SMO,239,Q99835,Human,purmorphamine,10356,,5284329,C1CCC(CC1)n1cnc2c1nc(nc2Nc1ccc(cc1)N1CCOCC1)Oc1cccc2c1cccc2,"InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)",FYBHCRQFSFYWPY-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,6.0,,EC50,,1000.0,,~,,,,16408088,