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Compile Data Set for Download or QSAR

Found 1752 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50466752
PNG
(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)
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n/an/a 3n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50450347
PNG
(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)
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n/an/a 3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182852
PNG
(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)
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n/an/a 3.20n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay 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...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182851
PNG
(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)
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n/an/a 3.60n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay 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...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50298278
PNG
(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)
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n/an/a 4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co Ltd

Curated by ChEMBL


Assay Description
Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...

Bioorg Med Chem 17: 4636-46 (2009)


Article DOI: 10.1016/j.bmc.2009.04.059
BindingDB Entry DOI: 10.7270/Q24M94KR
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051895
PNG
(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)
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n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver.

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182849
PNG
(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)
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n/an/a 4.20n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay 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...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051903
PNG
(2-[1,3]Dioxolan-2-yl-4,5-diphenyl-1H-imidazole | C...)
Show SMILES C1COC(O1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H16N2O2/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)20-17(19-15)18-21-11-12-22-18/h1-10,18H,11-12H2,(H,19,20)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051461
PNG
(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)
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175766
PNG
(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)
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n/an/a 5.40n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038923
PNG
(1-[4-(2-Chloro-phenyl)-6,7-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2cc1C |(2.13,-.58,;3.46,-1.35,;4.79,-.57,;6.14,-1.34,;7.45,-.57,;8.8,-1.33,;8.8,-2.88,;10.13,-3.64,;11.46,-2.87,;11.46,-1.33,;12.81,-3.62,;12.82,-5.16,;11.49,-5.93,;11.49,-7.47,;12.84,-8.24,;12.84,-9.78,;14.17,-7.45,;14.15,-5.93,;15.48,-5.14,;7.47,-3.65,;7.47,-5.19,;6.14,-5.96,;6.14,-7.5,;7.47,-8.27,;8.8,-7.47,;8.82,-5.96,;10.3,-6.35,;6.14,-2.88,;4.81,-3.65,;3.46,-2.89,;2.13,-3.67,)|
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)
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n/an/a 5.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051466
PNG
(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)
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50285881
PNG
(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
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT)

Bioorg Med Chem Lett 5: 2683-2688 (1995)


Article DOI: 10.1016/0960-894X(95)00451-X
BindingDB Entry DOI: 10.7270/Q2KK9BR5
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50462683
PNG
(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)
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n/an/a 7n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50462683
PNG
(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)
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Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...

Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037663
PNG
(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)
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n/an/a 8n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037666
PNG
(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)
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n/an/a 8n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50063243
PNG
(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)
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats

J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175771
PNG
(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)
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n/an/a 8.30n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038906
PNG
(1-[8-Chloro-4-(2-chloro-phenyl)-6-methyl-quinolin-...)
Show SMILES Cc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(2.12,-4.41,;3.45,-3.62,;3.45,-2.08,;4.78,-1.31,;4.77,.23,;6.12,-2.08,;7.44,-1.31,;8.78,-2.06,;8.78,-3.62,;10.13,-4.37,;11.46,-3.6,;11.44,-2.06,;12.79,-4.37,;12.79,-5.91,;11.46,-6.68,;11.48,-8.22,;12.82,-8.98,;12.83,-10.52,;14.15,-8.2,;14.14,-6.66,;15.47,-5.88,;7.45,-4.39,;7.45,-5.93,;6.12,-6.7,;6.12,-8.24,;7.45,-9.01,;8.8,-8.22,;8.8,-6.7,;10.29,-7.09,;6.12,-3.62,;4.79,-4.39,)|
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)
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50466740
PNG
(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)
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n/an/a 9n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50041735
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50050356
PNG
(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)
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n/an/a 9n/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rat liver microsomes

J Med Chem 39: 1262-70 (1996)


Article DOI: 10.1021/jm950828+
BindingDB Entry DOI: 10.7270/Q24T6HGW
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038918
PNG
(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(-12.26,-4.7,;-10.94,-3.92,;-10.94,-2.38,;-9.61,-1.59,;-9.63,-.05,;-8.28,-2.36,;-6.95,-1.59,;-5.62,-2.36,;-5.6,-3.9,;-4.26,-4.67,;-2.93,-3.9,;-2.94,-2.36,;-1.6,-4.65,;-1.59,-6.19,;-2.92,-6.96,;-2.91,-8.5,;-1.56,-9.27,;-1.56,-10.81,;-.23,-8.48,;-.25,-6.95,;1.08,-6.17,;-6.93,-4.67,;-6.93,-6.21,;-8.28,-6.98,;-8.28,-8.52,;-6.93,-9.29,;-5.59,-8.5,;-5.59,-6.98,;-4.11,-7.38,;-8.28,-3.9,;-9.61,-4.67,)|
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)
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n/an/a 9.20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038900
PNG
(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 |(.68,-4.93,;2.01,-5.7,;2.01,-7.24,;3.34,-8.01,;4.67,-7.22,;4.7,-5.7,;3.34,-4.93,;3.34,-3.39,;4.67,-2.62,;6.02,-3.38,;7.35,-2.61,;7.33,-1.07,;8.69,-3.37,;8.69,-4.91,;7.36,-5.68,;7.37,-7.22,;8.71,-7.99,;8.73,-9.53,;10.04,-7.19,;10.03,-5.67,;11.36,-4.88,;4.67,-1.07,;3.34,-.31,;2.01,-1.08,;.68,-.31,;-.65,-1.08,;-1.98,-.33,;-.65,-2.64,;-1.98,-3.41,;.68,-3.39,;2.01,-2.62,)|
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)
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n/an/a 9.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50063239
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats

J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.

J Med Chem 38: 1067-83 (1995)


BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051456
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.

J Med Chem 38: 1067-83 (1995)


BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037622
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037638
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50037664
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes

J Med Chem 37: 3511-22 (1994)


BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50051894
PNG
(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 |(14.57,1.37,;13.09,.98,;12.67,-.5,;11.19,-.89,;10.78,-2.39,;11.87,-3.46,;13.36,-3.08,;13.76,-1.59,;11.47,-4.95,;9.98,-5.35,;9.57,-6.84,;10.66,-7.94,;10.27,-9.43,;11.05,-10.76,;10.29,-12.1,;11,-13.36,;9.87,-14.42,;10.97,-15.5,;9.12,-15.76,;7.4,-15.14,;6.21,-15.56,;6.98,-14.21,;8.61,-14.84,;4.88,-14.79,;4.48,-13.3,;2.94,-13.23,;2.39,-14.67,;3.59,-15.63,;.89,-15.07,;-.19,-13.97,;-1.67,-14.39,;-2.07,-15.88,;-.97,-16.96,;.51,-16.55,;2.08,-11.94,;2.78,-10.56,;1.94,-9.28,;.4,-9.36,;-.28,-10.73,;.56,-12.01,;12.15,-7.53,;12.55,-6.05,)|
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)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...

J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes by using AIV assay.

Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50450346
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat hepatic microsomes

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes was measured by using AIV assay

Bioorg Med Chem Lett 5: 177-180 (1995)


Article DOI: 10.1016/0960-894X(95)00003-C
BindingDB Entry DOI: 10.7270/Q2PG1RQJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051456
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in liver microsomes isolated from cholestero...

Bioorg Med Chem Lett 5: 295-300 (1995)


BindingDB Entry DOI: 10.7270/Q29Z94WS
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033969
PNG
(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)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from HepG2 microsomes

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM182850
PNG
(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)
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n/an/a 10.3n/an/an/an/an/an/a



Trustees of Dartmouth College

US Patent


Assay 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...

US Patent US9149492 (2015)


BindingDB Entry DOI: 10.7270/Q2N015BF
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50175772
PNG
(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)
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against ACAT in rat macrophages

Bioorg Med Chem Lett 16: 44-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.056
BindingDB Entry DOI: 10.7270/Q2PG1SH8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50033960
PNG
(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)
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n/an/a 11n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.

J Med Chem 38: 1067-83 (1995)


BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50063226
PNG
(CHEMBL160149 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCC(C)(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C28H39NO3/c1-8-9-18-28(6,7)32-27(31)24(21-14-11-10-12-15-21)26(30)29-25-22(19(2)3)16-13-17-23(25)20(4)5/h10-17,19-20,24H,8-9,18H2,1-7H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats

J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50280419
PNG
(2-[3-(1-Methyl-1H-imidazole-2-sulfonyl)-propylsulf...)
Show SMILES Cn1ccnc1S(=O)(=O)CCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O2S2/c1-26-14-13-23-22(26)30(27,28)16-8-15-29-21-24-19(17-9-4-2-5-10-17)20(25-21)18-11-6-3-7-12-18/h2-7,9-14H,8,15-16H2,1H3,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of cholesterol O-acyl transferase (ACAT) from rat liver

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50063236
PNG
(CHEMBL159871 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C30H43NO3/c1-6-7-8-9-10-11-15-21-34-30(33)27(24-17-13-12-14-18-24)29(32)31-28-25(22(2)3)19-16-20-26(28)23(4)5/h12-14,16-20,22-23,27H,6-11,15,21H2,1-5H3,(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats

J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50063231
PNG
(CHEMBL159621 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...)
Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C36H55NO3/c1-8-9-10-11-12-13-14-15-16-20-26-36(6,7)40-35(39)32(29-22-18-17-19-23-29)34(38)37-33-30(27(2)3)24-21-25-31(33)28(4)5/h17-19,21-25,27-28,32H,8-16,20,26H2,1-7H3,(H,37,38)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats

J Med Chem 41: 682-90 (1998)


Article DOI: 10.1021/jm970560h
BindingDB Entry DOI: 10.7270/Q28051R8
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Cricetulus griseus)		BDBM50051901
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES Cc1cc(C)n(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)n1
Show InChI InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of Cholesterol O-acyl transferase from hamster liver

Bioorg Med Chem Lett 2: 375-380 (1992)


Article DOI: 10.1016/S0960-894X(00)80149-3
BindingDB Entry DOI: 10.7270/Q2MP535G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038920
PNG
(1-[6-Chloro-4-(2-chloro-phenyl)-8-methyl-quinolin-...)
Show SMILES Cc1cc(Cl)cc2c(c(NC(=O)Nc3ccc(F)cc3F)cnc12)-c1ccccc1Cl |(3.32,3.33,;3.32,1.79,;1.99,1,;1.99,-.54,;.66,-1.31,;3.34,-1.29,;4.67,-.52,;6,-1.29,;7.33,-.52,;8.66,-1.28,;9.99,-.51,;9.99,1.03,;11.34,-1.27,;11.35,-2.81,;10.02,-3.58,;10.02,-5.12,;11.37,-5.89,;11.37,-7.43,;12.7,-5.09,;12.68,-3.57,;14.01,-2.78,;7.33,1.03,;5.98,1.79,;4.67,1.02,;6,-2.83,;4.67,-3.6,;4.67,-5.14,;6,-5.91,;7.33,-5.12,;7.35,-3.6,;8.83,-4,)|
Show InChI InChI=1S/C23H15Cl2F2N3O/c1-12-8-13(24)9-16-21(15-4-2-3-5-17(15)25)20(11-28-22(12)16)30-23(31)29-19-7-6-14(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038922
PNG
(1-(2,4-Difluoro-phenyl)-3-(6,8-dimethyl-4-o-tolyl-...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1 |(1.2,-4.35,;2.53,-3.57,;2.53,-2.03,;3.86,-1.24,;3.85,.3,;5.19,-2.01,;6.52,-1.24,;7.85,-2.01,;7.86,-3.55,;9.2,-4.32,;10.53,-3.55,;10.52,-2.01,;11.86,-4.3,;11.88,-5.84,;10.55,-6.61,;10.55,-8.15,;11.9,-8.92,;11.91,-10.46,;13.23,-8.13,;13.21,-6.6,;14.54,-5.82,;6.53,-4.32,;6.53,-5.86,;7.87,-6.63,;7.87,-8.15,;6.53,-8.94,;5.19,-8.17,;5.19,-6.63,;3.86,-5.86,;5.19,-3.55,;3.86,-4.32,)|
Show InChI InChI=1S/C25H21F2N3O/c1-14-10-16(3)24-19(11-14)23(18-7-5-4-6-15(18)2)22(13-28-24)30-25(31)29-21-9-8-17(26)12-20(21)27/h4-13H,1-3H3,(H2,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
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