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Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'billheimer' and Initial = 'j'   
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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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
Acyl coenzyme A:cholesterol 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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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, Soat


(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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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
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50285443
PNG
(Benzooxazol-2-yl-[5-(4,5-diphenyl-1H-imidazol-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1nc2ccccc2o1
Show InChI InChI=1S/C34H40N4OS/c1-2-3-4-5-15-24-38(34-35-29-22-13-14-23-30(29)39-34)25-16-8-17-26-40-33-36-31(27-18-9-6-10-19-27)32(37-33)28-20-11-7-12-21-28/h6-7,9-14,18-23H,2-5,8,15-17,24-26H2,1H3,(H,36,37)
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TBA

Curated by ChEMBL


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


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, Soat


(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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n/an/a 20n/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, Soat


(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, Soat


(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, Soat


(Rattus norvegicus)
BDBM50033949
PNG
(1-[5-(4,5-Dicyclohexyl-1H-imidazol-2-ylsulfanyl)-p...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C2CCCCC2)c([nH]1)C1CCCCC1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H52F2N4OS/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/h20-21,25-27H,2-19,22-24H2,1H3,(H,37,41)(H,38,39)
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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, Soat


(Rattus norvegicus)
BDBM50033950
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diisopropyl-1H-i...)
Show SMILES CCCCCCCN(CCCCCSc1nc(C(C)C)c([nH]1)C(C)C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H44F2N4OS/c1-6-7-8-9-11-16-34(28(35)31-24-15-14-22(29)19-23(24)30)17-12-10-13-18-36-27-32-25(20(2)3)26(33-27)21(4)5/h14-15,19-21H,6-13,16-18H2,1-5H3,(H,31,35)(H,32,33)
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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, Soat


(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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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, Soat


(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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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, Soat


(Rattus norvegicus)
BDBM50450352
PNG
(CHEMBL406757)
Show SMILES C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)OCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C34H30N4OS2/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26)36-33(35-29)40-23-21-39-22-24-41-34-37-31(27-17-9-3-10-18-27)32(38-34)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,35,36)(H,37,38)
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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, Soat


(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, Soat


(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, Soat


(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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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, Soat


(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, Soat


(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, Soat


(Rattus norvegicus)
BDBM50033966
PNG
(CHEMBL11267 | N-[5-[(1H,9H-dibenzo[4,5:8,9] [1,3]d...)
Show SMILES CCCCCCCN(CCCCCSc1nc-2c([nH]1)-c1ccccc1OCOc1ccccc-21)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C35H40F2N4O3S/c1-2-3-4-5-11-20-41(35(42)38-29-19-18-25(36)23-28(29)37)21-12-6-13-22-45-34-39-32-26-14-7-9-16-30(26)43-24-44-31-17-10-8-15-27(31)33(32)40-34/h7-10,14-19,23H,2-6,11-13,20-22,24H2,1H3,(H,38,42)(H,39,40)
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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, Soat


(Rattus norvegicus)
BDBM50285426
PNG
(2-[5-(4,5-diphenyl-1H-2-imidazolylsulfanyl)pentyls...)
Show SMILES C(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C35H32N4S2/c1-6-16-26(17-7-1)30-31(27-18-8-2-9-19-27)37-34(36-30)40-24-14-5-15-25-41-35-38-32(28-20-10-3-11-21-28)33(39-35)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2,(H,36,37)(H,38,39)
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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, Soat


(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, Soat


(Rattus norvegicus)
BDBM50033971
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C30H42N4O3S/c1-4-36-21-22-37-20-19-34(30(35)31-24(2)3)18-12-7-13-23-38-29-32-27(25-14-8-5-9-15-25)28(33-29)26-16-10-6-11-17-26/h5-6,8-11,14-17,24H,4,7,12-13,18-23H2,1-3H3,(H,31,35)(H,32,33)
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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, Soat


(Rattus norvegicus)
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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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, Soat


(Rattus norvegicus)
BDBM50450357
PNG
(CHEMBL48164)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C48H60N8OS2/c1-35(2)49-48(57)56(31-15-9-17-33-58-46-50-42(36-19-11-7-12-20-36)43(51-46)37-21-13-8-14-22-37)32-16-10-18-34-59-47-52-44(38-23-27-40(28-24-38)54(3)4)45(53-47)39-25-29-41(30-26-39)55(5)6/h7-8,11-14,19-30,35H,9-10,15-18,31-34H2,1-6H3,(H,49,57)(H,50,51)(H,52,53)
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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, Soat


(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, Soat


(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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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, Soat


(Rattus norvegicus)
BDBM50285434
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES COCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C34H40N4O5S/c1-39-22-23-42-21-20-38(34-35-29-9-5-6-10-30(29)43-34)19-7-4-8-24-44-33-36-31(25-11-15-27(40-2)16-12-25)32(37-33)26-13-17-28(41-3)18-14-26/h5-6,9-18H,4,7-8,19-24H2,1-3H3,(H,36,37)
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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, Soat


(Rattus norvegicus)
BDBM50285442
PNG
(Benzooxazol-2-yl-{5-[4,5-bis-(4-methoxy-phenyl)-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C36H44N4O3S/c1-4-5-6-7-11-24-40(36-37-31-14-9-10-15-32(31)43-36)25-12-8-13-26-44-35-38-33(27-16-20-29(41-2)21-17-27)34(39-35)28-18-22-30(42-3)23-19-28/h9-10,14-23H,4-8,11-13,24-26H2,1-3H3,(H,38,39)
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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, Soat


(Rattus norvegicus)
BDBM50033975
PNG
(1-{5-[4,5-Bis-(3-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1cccc(OC)c1)-c1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4O3S/c1-4-5-6-7-9-20-42(36(43)39-32-19-18-28(37)25-31(32)38)21-10-8-11-22-46-35-40-33(26-14-12-16-29(23-26)44-2)34(41-35)27-15-13-17-30(24-27)45-3/h12-19,23-25H,4-11,20-22H2,1-3H3,(H,39,43)(H,40,41)
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n/an/a 40n/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, Soat


(Rattus norvegicus)
BDBM50033998
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES OCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C31H34F2N4O3S/c32-25-14-15-27(26(33)22-25)34-31(39)37(17-19-40-20-18-38)16-8-3-9-21-41-30-35-28(23-10-4-1-5-11-23)29(36-30)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,38H,3,8-9,16-21H2,(H,34,39)(H,35,36)
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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, Soat


(Rattus norvegicus)
BDBM50033997
PNG
(1-{5-[4,5-Bis-(4-fluoro-phenyl)-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H38F4N4OS/c1-2-3-4-5-7-20-42(34(43)39-30-19-18-28(37)23-29(30)38)21-8-6-9-22-44-33-40-31(24-10-14-26(35)15-11-24)32(41-33)25-12-16-27(36)17-13-25/h10-19,23H,2-9,20-22H2,1H3,(H,39,43)(H,40,41)
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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, Soat


(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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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, Soat


(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, Soat


(Rattus norvegicus)
BDBM50033952
PNG
(1-{5-[4,5-Bis-(4-dimethylamino-phenyl)-1H-imidazol...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C38H50F2N6OS/c1-6-7-8-9-11-24-46(38(47)41-34-23-18-30(39)27-33(34)40)25-12-10-13-26-48-37-42-35(28-14-19-31(20-15-28)44(2)3)36(43-37)29-16-21-32(22-17-29)45(4)5/h14-23,27H,6-13,24-26H2,1-5H3,(H,41,47)(H,42,43)
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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, Soat


(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, Soat


(Rattus norvegicus)
BDBM50033955
PNG
(CHEMBL11201 | N-{5-[4,5-Bis-(4-dimethylamino-pheny...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)C(=O)CC1CCCCC1
Show InChI InChI=1S/C39H59N5OS/c1-6-7-8-9-14-27-44(36(45)30-31-17-12-10-13-18-31)28-15-11-16-29-46-39-40-37(32-19-23-34(24-20-32)42(2)3)38(41-39)33-21-25-35(26-22-33)43(4)5/h19-26,31H,6-18,27-30H2,1-5H3,(H,40,41)
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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, Soat


(Rattus norvegicus)
BDBM50033957
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N4O3S/c1-2-41-21-22-42-20-19-39(33(40)36-29-17-16-27(34)24-28(29)35)18-10-5-11-23-43-32-37-30(25-12-6-3-7-13-25)31(38-32)26-14-8-4-9-15-26/h3-4,6-9,12-17,24H,2,5,10-11,18-23H2,1H3,(H,36,40)(H,37,38)
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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, Soat


(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
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