Compile Data Set for Download or QSAR
Found 1703 Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1'
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229236(CHEMBL46356)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C28H25N5O5/c34-24(19-10-7-13-21(14-19)33(37)38)17-31-25-15-23(18-8-3-1-4-9-18)29-32(25)27(35)22-16-30(28(36)26(22)31)20-11-5-2-6-12-20/h1,3-4,7-10,13-15,20H,2,5-6,11-12,16-17H2
Affinity DataIC50: 1.40nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229241(CHEMBL295382)
Show SMILES O=C(Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-24(20-12-6-2-7-13-20)18-31-25-16-23(19-10-4-1-5-11-19)29-32(25)27(34)22-17-30(28(35)26(22)31)21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
Affinity DataIC50: 1.70nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229233(CHEMBL299604)
Show SMILES O=C(Cn1c2C(=O)N(Cc3ccccc3)Cc2c(=O)n2nc(cc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N4O3/c34-25(22-14-8-3-9-15-22)19-32-26-16-24(21-12-6-2-7-13-21)30-33(26)28(35)23-18-31(29(36)27(23)32)17-20-10-4-1-5-11-20/h1-16H,17-19H2
Affinity DataIC50: 2.60nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229237(CHEMBL47580)
Show SMILES CC(C)CC(C)N1Cc2c(C1=O)n(CC(=O)c1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)14-19(3)30-16-22-26(28(30)35)31(17-24(33)21-12-8-5-9-13-21)25-15-23(29-32(25)27(22)34)20-10-6-4-7-11-20/h4-13,15,18-19H,14,16-17H2,1-3H3
Affinity DataIC50: 3nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50466752(CHEMBL4281138)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H29N5OS4/c1-16-14-19(30-2)21(22(24-16)31-3)26-20(29)15-28-10-8-27(9-11-28)12-13-32-23-25-17-6-4-5-7-18(17)33-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)
Affinity DataIC50: 3nMAssay Description:Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50450347(CHEMBL431940)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C51H56F2N8OS2/c1-59(2)41-26-21-38(22-27-41)47-48(39-23-28-42(29-24-39)60(3)4)58-50(57-47)64-34-16-8-14-32-61(51(62)54-44-30-25-40(52)35-43(44)53)31-13-7-15-33-63-49-55-45(36-17-9-5-10-18-36)46(56-49)37-19-11-6-12-20-37/h5-6,9-12,17-30,35H,7-8,13-16,31-34H2,1-4H3,(H,54,62)(H,55,56)(H,57,58)
Affinity DataIC50: 3nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM182852(US9149492, Compound 1D)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1
Show InChI InChI=1S/C38H46N2O5/c1-26(2)32-14-11-15-33(27(3)4)38(32)39-35(42)24-34(41)30(22-28-12-7-5-8-13-28)23-29-17-19-31(20-18-29)45-37(44)25-40-21-10-6-9-16-36(40)43/h5,7-8,11-15,17-20,26-27,30H,6,9-10,16,21-25H2,1-4H3,(H,39,42)
Affinity DataIC50: 3.20nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229239(CHEMBL297571)
Show SMILES O=C1N(Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H26N4O2/c32-26-22-18-29(21-14-8-3-9-15-21)27(33)25(22)30(17-19-10-4-1-5-11-19)24-16-23(28-31(24)26)20-12-6-2-7-13-20/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
Affinity DataIC50: 3.5nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM182851(US9149492, Compound 1C)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1
Show InChI InChI=1S/C43H56N2O5/c1-31(2)37-18-15-19-38(32(3)4)43(37)44-40(47)30-39(46)35(28-33-16-9-7-10-17-33)29-34-22-24-36(25-23-34)50-42(49)21-12-5-6-13-26-45-27-14-8-11-20-41(45)48/h7,9-10,15-19,22-25,31-32,35H,5-6,8,11-14,20-21,26-30H2,1-4H3,(H,44,47)
Affinity DataIC50: 3.60nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50298278(CHEMBL574392 | N-(4-Amino-2,6-diisopropylphenyl)-N...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ncccc1OCCCO
Show InChI InChI=1S/C34H47N5O4/c1-23(2)28-20-26(35)21-29(24(3)4)31(28)38-33(41)37-22-34(25-9-6-10-27(19-25)42-5)12-15-39(16-13-34)32-30(11-7-14-36-32)43-18-8-17-40/h6-7,9-11,14,19-21,23-24,40H,8,12-13,15-18,22,35H2,1-5H3,(H2,37,38,41)
Affinity DataIC50: 4nMAssay Description:Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50051895(2-(2,4-Dioxa-spiro[5.5]undec-3-yl)-4,5-diphenyl-1H...)
Show SMILES C1CCC2(CC1)COC(OC2)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-4-10-18(11-5-1)20-21(19-12-6-2-7-13-19)26-22(25-20)23-27-16-24(17-28-23)14-8-3-9-15-24/h1-2,4-7,10-13,23H,3,8-9,14-17H2,(H,25,26)
Affinity DataIC50: 4nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM182849(US9149492, Compound 1A)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C30H35NO2/c1-21(2)26-16-11-17-27(22(3)4)30(26)31-29(33)20-28(32)25(18-23-12-7-5-8-13-23)19-24-14-9-6-10-15-24/h5-17,21-22,25H,18-20H2,1-4H3,(H,31,33)
Affinity DataIC50: 4.20nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229235(CHEMBL46610)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H22N4O2/c33-27-23-19-30(17-20-10-4-1-5-11-20)28(34)26(23)31(18-21-12-6-2-7-13-21)25-16-24(29-32(25)27)22-14-8-3-9-15-22/h1-16H,17-19H2
Affinity DataIC50: 4.70nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50051461(CHEMBL264861 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
Affinity DataIC50: 5nMAssay Description:In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50175766(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(ccnc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C31H37N5O3/c1-7-8-17-36-29-24(13-10-15-33-29)25(21-11-9-12-22(18-21)39-6)28(30(36)37)35-31(38)34-27-23(19(2)3)14-16-32-26(27)20(4)5/h9-16,18-20H,7-8,17H2,1-6H3,(H2,34,35,38)
Affinity DataIC50: 5.40nMAssay Description:Inhibitory activity against ACAT in rat macrophagesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229234(CHEMBL416090)
Show SMILES C=CCOc1ccc(cc1)-c1cc2n(Cc3ccccc3)c3C(=O)N(Cc3c(=O)n2n1)C1CCCCC1
Show InChI InChI=1S/C30H30N4O3/c1-2-17-37-24-15-13-22(14-16-24)26-18-27-33(19-21-9-5-3-6-10-21)28-25(29(35)34(27)31-26)20-32(30(28)36)23-11-7-4-8-12-23/h2-3,5-6,9-10,13-16,18,23H,1,4,7-8,11-12,17,19-20H2
Affinity DataIC50: 5.70nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50038923(1-[4-(2-Chloro-phenyl)-6,7-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2cc1C
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
Affinity DataIC50: 5.80nMAssay Description:Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50051466(CHEMBL175982 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...)
Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-25-29-31-32(30-25)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
Affinity DataIC50: 6nMAssay Description:In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50285881(12-hydroxy-4a,6a,12b-trimethyl-11-oxo-2-phenyl-9-(...)
Show SMILES CCCC(N)C(=O)O[C@H]1CC2[C@](C)(CC[C@@H]3OC(OC[C@@]23C)c2ccccc2)C2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1
Show InChI InChI=1S/C37H44N2O8/c1-5-10-23(38)32(41)45-28-18-26-35(2,15-14-27-36(26,3)20-43-34(46-27)21-11-7-6-8-12-21)31-30(40)29-25(47-37(28,31)4)17-24(44-33(29)42)22-13-9-16-39-19-22/h6-9,11-13,16-17,19,23,26-28,30-31,34,40H,5,10,14-15,18,20,38H2,1-4H3/t23?,26?,27-,28-,30-,31?,34?,35-,36-,37+/m0/s1
Affinity DataIC50: 6nMAssay Description:Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Mus musculus)
Kowa Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50462683(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
Affinity DataIC50: 7nMAssay Description:Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50462683(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
Affinity DataIC50: 7nMAssay Description:Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229238(CHEMBL297097)
Show SMILES O=C1N(Cc2c1n(C\C=C\c1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H28N4O2/c34-28-24-20-32(23-16-8-3-9-17-23)29(35)27(24)31(18-10-13-21-11-4-1-5-12-21)26-19-25(30-33(26)28)22-14-6-2-7-15-22/h1-2,4-7,10-15,19,23H,3,8-9,16-18,20H2/b13-10+
Affinity DataIC50: 7.20nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50063243(CHEMBL161499 | N-(2,6-Diisopropyl-phenyl)-2-pyridi...)
Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccn1
Show InChI InChI=1S/C32H48N2O3/c1-6-7-8-9-10-11-12-13-14-17-23-37-32(36)29(28-21-15-16-22-33-28)31(35)34-30-26(24(2)3)19-18-20-27(30)25(4)5/h15-16,18-22,24-25,29H,6-14,17,23H2,1-5H3,(H,34,35)
Affinity DataIC50: 8nMAssay Description:In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed ratsMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50037666(3-(2,4-Difluoro-phenyl)-1-[8-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H46F2N4OS/c1-2-3-4-7-16-25-43(37(44)40-33-24-23-31(38)28-32(33)39)26-17-8-5-6-9-18-27-45-36-41-34(29-19-12-10-13-20-29)35(42-36)30-21-14-11-15-22-30/h10-15,19-24,28H,2-9,16-18,25-27H2,1H3,(H,40,44)(H,41,42)
Affinity DataIC50: 8nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50037663(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCS(=O)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4O2S/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-43(42)33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 8nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50175771(1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H39N5O3/c1-7-8-15-37-30-24(13-10-14-34-30)27(21-11-9-12-23(16-21)40-6)29(31(37)38)36-32(39)35-28-25(19(2)3)17-22(33)18-26(28)20(4)5/h9-14,16-20H,7-8,15,33H2,1-6H3,(H2,35,36,39)
Affinity DataIC50: 8.30nMAssay Description:Inhibitory activity against ACAT in rat macrophagesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50038906(1-[8-Chloro-4-(2-chloro-phenyl)-6-methyl-quinolin-...)
Show SMILES Cc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C23H15Cl2F2N3O/c1-12-8-15-21(14-4-2-3-5-16(14)24)20(11-28-22(15)17(25)9-12)30-23(31)29-19-7-6-13(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
Affinity DataIC50: 8.90nMAssay Description:Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50466740(CHEMBL4282905)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C23H29N5O2S3/c1-16-14-19(31-2)21(22(24-16)32-3)26-20(29)15-28-10-8-27(9-11-28)12-13-33-23-25-17-6-4-5-7-18(17)30-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)
Affinity DataIC50: 9nMAssay Description:Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50050356(2,2-Dimethyl-dodecanoic acid (5-dimethylamino-2,2,...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c2OC(C)(C)Cc2c(C)c(N(C)C)c1C
Show InChI InChI=1S/C28H48N2O2/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23/h10-19H2,1-9H3,(H,29,31)
Affinity DataIC50: 9nMAssay Description:Inhibitory activity of the compound against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rat liver microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50038918(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-9-14(2)23-17(10-13)22(16-5-3-4-6-18(16)25)21(12-28-23)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
Affinity DataIC50: 9.20nMAssay Description:Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50038900(1-(7-Chloro-6-methyl-4-o-tolyl-quinolin-3-yl)-3-(2...)
Show SMILES Cc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2cc(Cl)c(C)cc12
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-5-3-4-6-16(13)23-17-9-14(2)18(25)11-21(17)28-12-22(23)30-24(31)29-20-8-7-15(26)10-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
Affinity DataIC50: 9.30nMAssay Description:Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50051456(CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)
Affinity DataIC50: 10nMAssay Description:In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM50051894(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCC2(C)COC(OC2)c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CC1
Show InChI InChI=1S/C35H42N4O3/c1-35(19-9-10-20-38-21-23-39(24-22-38)29-15-17-30(40-2)18-16-29)25-41-34(42-26-35)33-36-31(27-11-5-3-6-12-27)32(37-33)28-13-7-4-8-14-28/h3-8,11-18,34H,9-10,19-26H2,1-2H3,(H,36,37)
Affinity DataIC50: 10nMAssay Description:Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50037622(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NCCC
Show InChI InChI=1S/C31H44N4OS/c1-3-5-6-7-15-23-35(31(36)32-22-4-2)24-16-10-17-25-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,36)(H,33,34)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50037638(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H44N4OS/c1-2-3-4-5-6-17-26-36-35(40)39(31-24-15-9-16-25-31)27-18-10-19-28-41-34-37-32(29-20-11-7-12-21-29)33(38-34)30-22-13-8-14-23-30/h7-9,11-16,20-25H,2-6,10,17-19,26-28H2,1H3,(H,36,40)(H,37,38)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50037664(3-Cyclohexyl-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H48N4OS/c1-2-3-4-5-16-25-38(34(39)35-30-23-14-8-15-24-30)26-17-9-18-27-40-33-36-31(28-19-10-6-11-20-28)32(37-33)29-21-12-7-13-22-29/h6-7,10-13,19-22,30H,2-5,8-9,14-18,23-27H2,1H3,(H,35,39)(H,36,37)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50063239(CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49NO3/c1-6-7-8-9-10-11-12-13-14-18-24-37-33(36)30(27-20-16-15-17-21-27)32(35)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,35)
Affinity DataIC50: 10nMAssay Description:In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed ratsMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Mus musculus)
Kowa Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50450346(CHEMBL300883)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccc(OC)cc2)-c2ccc(OC)cc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C48H58N6O5S2/c1-33(2)49-48(55)54(29-9-7-11-31-60-46-50-42(34-13-21-38(56-3)22-14-34)43(51-46)35-15-23-39(57-4)24-16-35)30-10-8-12-32-61-47-52-44(36-17-25-40(58-5)26-18-36)45(53-47)37-19-27-41(59-6)28-20-37/h13-28,33H,7-12,29-32H2,1-6H3,(H,49,55)(H,50,51)(H,52,53)
Affinity DataIC50: 10nMAssay Description:Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell cultureMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033969(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Affinity DataIC50: 10nMAssay Description:In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes was measured by using AIV assayMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50051456(CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)
Affinity DataIC50: 10nMAssay Description:Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Homo sapiens (Human))
Kowa Company, Ltd.

Curated by ChEMBL
LigandPNGBDBM182850(US9149492, Compound 1B)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-20(2)26-11-8-12-27(21(3)4)30(26)31-29(34)19-28(33)24(17-22-9-6-5-7-10-22)18-23-13-15-25(32)16-14-23/h5-16,20-21,24,32H,17-19H2,1-4H3,(H,31,34)
Affinity DataIC50: 10.3nMAssay Description:Methods for assessing the selectively of ACAT1 inhibitors are known in the art and can be based upon any conventional assay including, but not limite...More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50229240(CHEMBL417538)
Show SMILES O=C1N(Cc2c1n(CSc1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H26N4O2S/c32-26-22-17-29(20-12-6-2-7-13-20)27(33)25(22)30(18-34-21-14-8-3-9-15-21)24-16-23(28-31(24)26)19-10-4-1-5-11-19/h1,3-5,8-11,14-16,20H,2,6-7,12-13,17-18H2
Affinity DataIC50: 11nMAssay Description:In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.More data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50175772(1-(1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1...)
Show SMILES CCCCn1c2ncccc2c(-c2cccc(OC)c2)c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c1=O
Show InChI InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)
Affinity DataIC50: 11nMAssay Description:Inhibitory activity against ACAT in rat macrophagesMore data for this Ligand-Target Pair
TargetSterol O-acyltransferase 1(Rattus norvegicus)
Upjohn Company

Curated by ChEMBL
LigandPNGBDBM50033960(CHEMBL11612 | N-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C37H53N3O3S/c1-4-5-6-7-12-25-40(34(41)28-29-15-10-8-11-16-29)26-13-9-14-27-44-37-38-35(30-17-21-32(42-2)22-18-30)36(39-37)31-19-23-33(43-3)24-20-31/h17-24,29H,4-16,25-28H2,1-3H3,(H,38,39)
Affinity DataIC50: 11nMAssay Description:Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.More data for this Ligand-Target Pair
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