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PubMed code 7932580

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
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


(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)		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)		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)		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


(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)		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)		BDBM50037634
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCS(=O)(=O)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4O3S/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-44(42,43)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 16n/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)		BDBM50037625
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1c(F)cc(F)cc1F
Show InChI InChI=1S/C34H39F3N4OS/c1-2-3-4-5-13-20-41(34(42)40-32-28(36)23-27(35)24-29(32)37)21-14-8-15-22-43-33-38-30(25-16-9-6-10-17-25)31(39-33)26-18-11-7-12-19-26/h6-7,9-12,16-19,23-24H,2-5,8,13-15,20-22H2,1H3,(H,38,39)(H,40,42)
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n/an/a 16n/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)		BDBM50037637
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1c(F)cc(F)cc1F
Show InChI InChI=1S/C35H41F3N4OS/c1-2-3-4-5-6-14-21-39-35(43)42(33-29(37)24-28(36)25-30(33)38)22-15-9-16-23-44-34-40-31(26-17-10-7-11-18-26)32(41-34)27-19-12-8-13-20-27/h7-8,10-13,17-20,24-25H,2-6,9,14-16,21-23H2,1H3,(H,39,43)(H,40,41)
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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)		BDBM50037665
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4OS/c1-4-5-6-7-15-22-35(31(36)32-25(2)3)23-16-10-17-24-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,33,34)
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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)		BDBM50037636
PNG
(CHEMBL119759 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C34H41N3O2S/c1-2-3-4-5-16-25-37(34(38)39-30-23-14-8-15-24-30)26-17-9-18-27-40-33-35-31(28-19-10-6-11-20-28)32(36-33)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,36)
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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)		BDBM50037642
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C34H42N4OS/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/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,39)(H,36,37)
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n/an/a 23n/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)		BDBM50037650
PNG
(2-(2,4-Difluoro-phenyl)-N-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Cc1ccc(F)cc1F
Show InChI InChI=1S/C35H41F2N3OS/c1-2-3-4-5-13-22-40(32(41)25-29-20-21-30(36)26-31(29)37)23-14-8-15-24-42-35-38-33(27-16-9-6-10-17-27)34(39-35)28-18-11-7-12-19-28/h6-7,9-12,16-21,26H,2-5,8,13-15,22-25H2,1H3,(H,38,39)
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n/an/a 25n/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)		BDBM50037656
PNG
(CHEMBL115686 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)CCC
Show InChI InChI=1S/C31H43N3OS/c1-3-5-6-7-15-23-34(28(35)18-4-2)24-16-10-17-25-36-31-32-29(26-19-11-8-12-20-26)30(33-31)27-21-13-9-14-22-27/h8-9,11-14,19-22H,3-7,10,15-18,23-25H2,1-2H3,(H,32,33)
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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)		BDBM50037648
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=S)Nc1c(F)cc(F)cc1F
Show InChI InChI=1S/C34H39F3N4S2/c1-2-3-4-5-13-20-41(34(42)40-32-28(36)23-27(35)24-29(32)37)21-14-8-15-22-43-33-38-30(25-16-9-6-10-17-25)31(39-33)26-18-11-7-12-19-26/h6-7,9-12,16-19,23-24H,2-5,8,13-15,20-22H2,1H3,(H,38,39)(H,40,42)
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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)		BDBM50037624
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCCc2ccccc2)c(F)c1
Show InChI InChI=1S/C36H36F2N4OS/c37-30-21-22-32(31(38)26-30)39-36(43)42(24-13-16-27-14-5-1-6-15-27)23-11-4-12-25-44-35-40-33(28-17-7-2-8-18-28)34(41-35)29-19-9-3-10-20-29/h1-3,5-10,14-15,17-22,26H,4,11-13,16,23-25H2,(H,39,43)(H,40,41)
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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)		BDBM50037653
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C30H32F2N4OS/c1-2-18-36(30(37)33-26-17-16-24(31)21-25(26)32)19-10-5-11-20-38-29-34-27(22-12-6-3-7-13-22)28(35-29)23-14-8-4-9-15-23/h3-4,6-9,12-17,21H,2,5,10-11,18-20H2,1H3,(H,33,37)(H,34,35)
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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)		BDBM50037661
PNG
(2-Cyclohexyl-N-[5-(4,5-diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C35H49N3OS/c1-2-3-4-5-16-25-38(32(39)28-29-19-10-6-11-20-29)26-17-9-18-27-40-35-36-33(30-21-12-7-13-22-30)34(37-35)31-23-14-8-15-24-31/h7-8,12-15,21-24,29H,2-6,9-11,16-20,25-28H2,1H3,(H,36,37)
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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)		BDBM50037620
PNG
(3-(2,4-Difluoro-phenyl)-1-[3-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(Cc1cccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H38F2N4OS/c1-2-3-4-5-12-22-43(37(44)40-33-21-20-31(38)24-32(33)39)25-27-14-13-15-28(23-27)26-45-36-41-34(29-16-8-6-9-17-29)35(42-36)30-18-10-7-11-19-30/h6-11,13-21,23-24H,2-5,12,22,25-26H2,1H3,(H,40,44)(H,41,42)
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n/an/a 30n/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)		BDBM50037623
PNG
(CHEMBL119271 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)OCCC
Show InChI InChI=1S/C31H43N3O2S/c1-3-5-6-7-15-22-34(31(35)36-24-4-2)23-16-10-17-25-37-30-32-28(26-18-11-8-12-19-26)29(33-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,33)
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n/an/a 34n/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)		BDBM50037628
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC
Show InChI InChI=1S/C29H40N4OS/c1-3-4-5-6-14-21-33(29(34)30-2)22-15-9-16-23-35-28-31-26(24-17-10-7-11-18-24)27(32-28)25-19-12-8-13-20-25/h7-8,10-13,17-20H,3-6,9,14-16,21-23H2,1-2H3,(H,30,34)(H,31,32)
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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)		BDBM50037654
PNG
(1-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccc(F)cc1F
Show InChI InChI=1S/C30H32F2N4OS/c1-21(2)33-30(37)36(26-17-16-24(31)20-25(26)32)18-10-5-11-19-38-29-34-27(22-12-6-3-7-13-22)28(35-29)23-14-8-4-9-15-23/h3-4,6-9,12-17,20-21H,5,10-11,18-19H2,1-2H3,(H,33,37)(H,34,35)
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n/an/a 40n/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)		BDBM50037615
PNG
(1-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-2-3-4-5-6-14-23-38-35(42)41(31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-34-39-32(27-17-10-7-11-18-27)33(40-34)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,2-6,9,14-16,23-25H2,1H3,(H,38,42)(H,39,40)
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n/an/a 40n/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)		BDBM50037644
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCCCc2ccccc2)c(F)c1
Show InChI InChI=1S/C37H38F2N4OS/c38-31-22-23-33(32(39)27-31)40-37(44)43(25-13-11-17-28-15-5-1-6-16-28)24-12-4-14-26-45-36-41-34(29-18-7-2-8-19-29)35(42-36)30-20-9-3-10-21-30/h1-3,5-10,15-16,18-23,27H,4,11-14,17,24-26H2,(H,40,44)(H,41,42)
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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)		BDBM50037640
PNG
(CHEMBL326045 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C34H41N3OS/c1-2-3-4-5-16-25-37(33(38)30-23-14-8-15-24-30)26-17-9-18-27-39-34-35-31(28-19-10-6-11-20-28)32(36-34)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,36)
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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)		BDBM50037633
PNG
(CHEMBL333653 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)OC1CCCCC1
Show InChI InChI=1S/C34H47N3O2S/c1-2-3-4-5-16-25-37(34(38)39-30-23-14-8-15-24-30)26-17-9-18-27-40-33-35-31(28-19-10-6-11-20-28)32(36-33)29-21-12-7-13-22-29/h6-7,10-13,19-22,30H,2-5,8-9,14-18,23-27H2,1H3,(H,35,36)
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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)		BDBM50037631
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=S)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4S2/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 58n/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)		BDBM50037641
PNG
(CHEMBL118701 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C34H39F2N3OS/c1-2-3-4-5-13-22-39(33(40)29-21-20-28(35)25-30(29)36)23-14-8-15-24-41-34-37-31(26-16-9-6-10-17-26)32(38-34)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,38)
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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)		BDBM50037660
PNG
(3-(2,4-Difluoro-phenyl)-1-[2-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C31H34F2N4OS/c1-2-3-4-5-12-19-37(31(38)34-27-18-17-25(32)22-26(27)33)20-21-39-30-35-28(23-13-8-6-9-14-23)29(36-30)24-15-10-7-11-16-24/h6-11,13-18,22H,2-5,12,19-21H2,1H3,(H,34,38)(H,35,36)
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n/an/a 70n/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)		BDBM50037626
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CC(C)(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-4-5-6-7-14-22-41(34(42)38-30-20-19-28(36)24-29(30)37)25-35(2,3)21-23-43-33-39-31(26-15-10-8-11-16-26)32(40-33)27-17-12-9-13-18-27/h8-13,15-20,24H,4-7,14,21-23,25H2,1-3H3,(H,38,42)(H,39,40)
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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)		BDBM50037621
PNG
(3-Biphenyl-4-yl-1-[5-(4,5-diphenyl-1H-imidazol-2-y...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C40H46N4OS/c1-2-3-4-5-16-29-44(40(45)41-36-27-25-33(26-28-36)32-19-10-6-11-20-32)30-17-9-18-31-46-39-42-37(34-21-12-7-13-22-34)38(43-39)35-23-14-8-15-24-35/h6-8,10-15,19-28H,2-5,9,16-18,29-31H2,1H3,(H,41,45)(H,42,43)
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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)		BDBM50037646
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N4OS/c1-23(2)31-30(35)34(26-19-11-5-12-20-26)21-13-6-14-22-36-29-32-27(24-15-7-3-8-16-24)28(33-29)25-17-9-4-10-18-25/h3-5,7-12,15-20,23H,6,13-14,21-22H2,1-2H3,(H,31,35)(H,32,33)
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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)		BDBM50037659
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C34H41N5O3S/c1-2-3-4-5-13-24-38(34(40)35-29-20-22-30(23-21-29)39(41)42)25-14-8-15-26-43-33-36-31(27-16-9-6-10-17-27)32(37-33)28-18-11-7-12-19-28/h6-7,9-12,16-23H,2-5,8,13-15,24-26H2,1H3,(H,35,40)(H,36,37)
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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)		BDBM50037652
PNG
(CHEMBL119272 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)C(C)C
Show InChI InChI=1S/C31H43N3OS/c1-4-5-6-7-15-22-34(30(35)25(2)3)23-16-10-17-24-36-31-32-28(26-18-11-8-12-19-26)29(33-31)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,33)
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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)		BDBM50037616
PNG
(1-Benzyl-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfan...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H46N4OS/c1-2-3-4-5-6-17-26-37-36(41)40(29-30-20-11-7-12-21-30)27-18-10-19-28-42-35-38-33(31-22-13-8-14-23-31)34(39-35)32-24-15-9-16-25-32/h7-9,11-16,20-25H,2-6,10,17-19,26-29H2,1H3,(H,37,41)(H,38,39)
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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)		BDBM50037617
PNG
(2-Biphenyl-4-yl-N-[5-(4,5-diphenyl-1H-imidazol-2-y...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C41H47N3OS/c1-2-3-4-5-16-29-44(38(45)32-33-25-27-35(28-26-33)34-19-10-6-11-20-34)30-17-9-18-31-46-41-42-39(36-21-12-7-13-22-36)40(43-41)37-23-14-8-15-24-37/h6-8,10-15,19-28H,2-5,9,16-18,29-32H2,1H3,(H,42,43)
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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)		BDBM50037627
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCc2ccccc2)c(F)c1
Show InChI InChI=1S/C35H34F2N4OS/c36-29-19-20-31(30(37)25-29)38-35(42)41(23-21-26-13-5-1-6-14-26)22-11-4-12-24-43-34-39-32(27-15-7-2-8-16-27)33(40-34)28-17-9-3-10-18-28/h1-3,5-10,13-20,25H,4,11-12,21-24H2,(H,38,42)(H,39,40)
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n/an/a 170n/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)		BDBM50037662
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(Cc1ccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H38F2N4OS/c1-2-3-4-5-12-23-43(37(44)40-33-22-21-31(38)24-32(33)39)25-27-17-19-28(20-18-27)26-45-36-41-34(29-13-8-6-9-14-29)35(42-36)30-15-10-7-11-16-30/h6-11,13-22,24H,2-5,12,23,25-26H2,1H3,(H,40,44)(H,41,42)
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n/an/a 200n/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)		BDBM50037651
PNG
(1-Benzyl-3-(2,4-difluoro-phenyl)-1-[5-(4,5-dipheny...)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C34H32F2N4OS/c35-28-19-20-30(29(36)23-28)37-34(41)40(24-25-13-5-1-6-14-25)21-11-4-12-22-42-33-38-31(26-15-7-2-8-16-26)32(39-33)27-17-9-3-10-18-27/h1-3,5-10,13-20,23H,4,11-12,21-22,24H2,(H,37,41)(H,38,39)
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n/an/a 200n/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)		BDBM50037649
PNG
(3-(2,6-Diisopropyl-phenyl)-1-[5-(4,5-diphenyl-1H-i...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C40H54N4OS/c1-6-7-8-9-17-27-44(40(45)43-38-34(30(2)3)25-20-26-35(38)31(4)5)28-18-12-19-29-46-39-41-36(32-21-13-10-14-22-32)37(42-39)33-23-15-11-16-24-33/h10-11,13-16,20-26,30-31H,6-9,12,17-19,27-29H2,1-5H3,(H,41,42)(H,43,45)
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n/an/a 230n/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)		BDBM50037647
PNG
(3-(2,4-Difluoro-phenyl)-1-[6-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCCc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4O/c1-2-3-4-6-15-24-41(35(42)38-31-23-22-29(36)26-30(31)37)25-16-7-5-14-21-32-39-33(27-17-10-8-11-18-27)34(40-32)28-19-12-9-13-20-28/h8-13,17-20,22-23,26H,2-7,14-16,21,24-25H2,1H3,(H,38,42)(H,39,40)
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n/an/a 280n/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)		BDBM50037619
PNG
(1-(2,4-Difluoro-phenyl)-3-[5-(4,5-diphenyl-1H-imid...)
Show SMILES Fc1ccc(NC(=O)NCCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C27H26F2N4OS/c28-21-14-15-23(22(29)18-21)31-26(34)30-16-8-3-9-17-35-27-32-24(19-10-4-1-5-11-19)25(33-27)20-12-6-2-7-13-20/h1-2,4-7,10-15,18H,3,8-9,16-17H2,(H,32,33)(H2,30,31,34)
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n/an/a 400n/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)		BDBM50037632
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c[nH]1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H36F2N4OS/c1-2-3-4-5-10-17-34(28(35)33-25-16-15-23(29)20-24(25)30)18-11-7-12-19-36-27-31-21-26(32-27)22-13-8-6-9-14-22/h6,8-9,13-16,20-21H,2-5,7,10-12,17-19H2,1H3,(H,31,32)(H,33,35)
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n/an/a 490n/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)		BDBM50037618
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[5-(4,5-diphenyl-1H-i...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H40N4OS/c1-23(2)27-19-14-20-28(24(3)4)31(27)35-32(38)34-21-12-7-13-22-39-33-36-29(25-15-8-5-9-16-25)30(37-33)26-17-10-6-11-18-26/h5-6,8-11,14-20,23-24H,7,12-13,21-22H2,1-4H3,(H,36,37)(H2,34,35,38)
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n/an/a 510n/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)		BDBM50037639
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C28H38N4OS/c1-2-3-4-5-13-20-32(27(29)33)21-14-8-15-22-34-28-30-25(23-16-9-6-10-17-23)26(31-28)24-18-11-7-12-19-24/h6-7,9-12,16-19H,2-5,8,13-15,20-22H2,1H3,(H2,29,33)(H,30,31)
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n/an/a 910n/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)		BDBM50037630
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-imidazol...)
Show SMILES CCCCCCCN(CCCCCSc1ncc[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C22H32F2N4OS/c1-2-3-4-5-7-14-28(15-8-6-9-16-30-21-25-12-13-26-21)22(29)27-20-11-10-18(23)17-19(20)24/h10-13,17H,2-9,14-16H2,1H3,(H,25,26)(H,27,29)
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n/an/a 2.90E+3n/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)		BDBM50037629
PNG
(CHEMBL332137 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(N)=Nc1ccccc1 |w:33.36|
Show InChI InChI=1S/C34H43N5S/c1-2-3-4-5-16-25-39(33(35)36-30-23-14-8-15-24-30)26-17-9-18-27-40-34-37-31(28-19-10-6-11-20-28)32(38-34)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H2,35,36)(H,37,38)
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n/an/a 3.16E+3n/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)		BDBM50037655
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCNc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H41F2N5O/c1-2-3-4-5-14-23-41(34(42)38-30-21-20-28(35)25-29(30)36)24-15-8-13-22-37-33-39-31(26-16-9-6-10-17-26)32(40-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,38,42)(H2,37,39,40)
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n/an/a 3.50E+3n/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)		BDBM50037657
PNG
(3-(2,4-Difluoro-phenyl)-1-[2-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(Cc1ccccc1CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C37H38F2N4OS/c1-2-3-4-5-14-23-43(37(44)40-33-22-21-31(38)24-32(33)39)25-29-19-12-13-20-30(29)26-45-36-41-34(27-15-8-6-9-16-27)35(42-36)28-17-10-7-11-18-28/h6-13,15-22,24H,2-5,14,23,25-26H2,1H3,(H,40,44)(H,41,42)
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n/an/a 3.60E+3n/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)		BDBM50037635
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1-methyl-4,...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1C)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H42F2N4OS/c1-3-4-5-6-14-23-41(34(42)38-31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-35-39-32(27-17-10-7-11-18-27)33(40(35)2)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,3-6,9,14-16,23-25H2,1-2H3,(H,38,42)
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n/an/a 3.60E+3n/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)		BDBM50037658
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(1,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-39(33(41)38-31-21-20-28(35)25-30(31)36)23-14-8-15-24-42-34-37-26-32(27-16-9-6-10-17-27)40(34)29-18-11-7-12-19-29/h6-7,9-12,16-21,25-26H,2-5,8,13-15,22-24H2,1H3,(H,38,41)
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n/an/a 7.20E+3n/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)		BDBM50037643
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(1,4-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(cn1-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-39(33(41)37-31-21-20-28(35)25-30(31)36)23-14-8-15-24-42-34-38-32(27-16-9-6-10-17-27)26-40(34)29-18-11-7-12-19-29/h6-7,9-12,16-21,25-26H,2-5,8,13-15,22-24H2,1H3,(H,37,41)
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n/an/a 4.20E+4n/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)		BDBM50037645
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1,4,5-triph...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c(-c2ccccc2)n1-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C40H44F2N4OS/c1-2-3-4-5-16-27-45(39(47)43-36-26-25-33(41)30-35(36)42)28-17-9-18-29-48-40-44-37(31-19-10-6-11-20-31)38(32-21-12-7-13-22-32)46(40)34-23-14-8-15-24-34/h6-8,10-15,19-26,30H,2-5,9,16-18,27-29H2,1H3,(H,43,47)
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n/an/a>5.00E+4n/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
* indicates data uncertainty>20%