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35 similar compounds to monomer 50033978

Compile data set for download or QSAR
Wt: 899.1
BDBM50450347
Wt: 597.7
BDBM50450350
Wt: 676.9
BDBM50033952
Wt: 605.7
BDBM50033953
Wt: 591.7
BDBM50033954
Wt: 608.7
BDBM50033957
Wt: 746.9
BDBM50033989
Wt: 618.8
BDBM50033964
Wt: 622.7
BDBM50033996
Wt: 592.7
BDBM50033967
Wt: 650.8
BDBM50033968
Wt: 626.7
BDBM50033997
Wt: 590.7
BDBM50033969
Purchase
Wt: 726.7
BDBM50033973
Wt: 580.6
BDBM50033998
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50450347,50450350,50033952,50033953,50033954,50033957,50033989,50033964,50033996,50033967,50033968,50033997,50033969,50033973,50033998   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
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 1.00E+3n/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 by using J774 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)
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
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, Soat


(Rattus norvegicus)
BDBM50450350
PNG
(CHEMBL48500)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCc2ccccn2)c(F)c1
Show InChI InChI=1S/C34H33F2N5OS/c35-27-17-18-30(29(36)24-27)38-34(42)41(22-19-28-16-8-9-20-37-28)21-10-3-11-23-43-33-39-31(25-12-4-1-5-13-25)32(40-33)26-14-6-2-7-15-26/h1-2,4-9,12-18,20,24H,3,10-11,19,21-23H2,(H,38,42)(H,39,40)
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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
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
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 450n/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, 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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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
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450350
PNG
(CHEMBL48500)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCc2ccccn2)c(F)c1
Show InChI InChI=1S/C34H33F2N5OS/c35-27-17-18-30(29(36)24-27)38-34(42)41(22-19-28-16-8-9-20-37-28)21-10-3-11-23-43-33-39-31(25-12-4-1-5-13-25)32(40-33)26-14-6-2-7-15-26/h1-2,4-9,12-18,20,24H,3,10-11,19,21-23H2,(H,38,42)(H,39,40)
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n/an/a 2.44E+3n/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, 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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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, 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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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, 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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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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033954
PNG
(1-(2-Diethylamino-ethyl)-3-(2,4-difluoro-phenyl)-1...)
Show SMILES CCN(CC)CCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H39F2N5OS/c1-3-39(4-2)21-22-40(33(41)36-29-19-18-27(34)24-28(29)35)20-12-7-13-23-42-32-37-30(25-14-8-5-9-15-25)31(38-32)26-16-10-6-11-17-26/h5-6,8-11,14-19,24H,3-4,7,12-13,20-23H2,1-2H3,(H,36,41)(H,37,38)
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n/an/a 80n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033953
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)CCN2CCOCC2)c(F)c1
Show InChI InChI=1S/C33H37F2N5O2S/c34-27-14-15-29(28(35)24-27)36-33(41)40(18-17-39-19-21-42-22-20-39)16-8-3-9-23-43-32-37-30(25-10-4-1-5-11-25)31(38-32)26-12-6-2-7-13-26/h1-2,4-7,10-15,24H,3,8-9,16-23H2,(H,36,41)(H,37,38)
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n/an/a 70n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033967
PNG
(1-(2-Butoxy-ethyl)-3-(2,4-difluoro-phenyl)-1-[5-(4...)
Show SMILES CCCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N4O2S/c1-2-3-21-41-22-20-39(33(40)36-29-18-17-27(34)24-28(29)35)19-11-6-12-23-42-32-37-30(25-13-7-4-8-14-25)31(38-32)26-15-9-5-10-16-26/h4-5,7-10,13-18,24H,2-3,6,11-12,19-23H2,1H3,(H,36,40)(H,37,38)
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n/an/a 70n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033968
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4O3S/c1-4-5-6-7-9-22-42(36(43)39-32-21-16-28(37)25-31(32)38)23-10-8-11-24-46-35-40-33(26-12-17-29(44-2)18-13-26)34(41-35)27-14-19-30(45-3)20-15-27/h12-21,25H,4-11,22-24H2,1-3H3,(H,39,43)(H,40,41)
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n/an/a 140n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033964
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-di-p-tolyl-1H-im...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(C)cc1)-c1ccc(C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4OS/c1-4-5-6-7-9-22-42(36(43)39-32-21-20-30(37)25-31(32)38)23-10-8-11-24-44-35-40-33(28-16-12-26(2)13-17-28)34(41-35)29-18-14-27(3)15-19-29/h12-21,25H,4-11,22-24H2,1-3H3,(H,39,43)(H,40,41)
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n/an/a 80n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
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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n/an/a 50n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033996
PNG
(1-{5-[4,5-Bis-(4-hydroxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(O)cc1)-c1ccc(O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4O3S/c1-2-3-4-5-7-20-40(34(43)37-30-19-14-26(35)23-29(30)36)21-8-6-9-22-44-33-38-31(24-10-15-27(41)16-11-24)32(39-33)25-12-17-28(42)18-13-25/h10-19,23,41-42H,2-9,20-22H2,1H3,(H,37,43)(H,38,39)
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n/an/a 2.40E+3n/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)


Article DOI: 10.1021/jm00007a004
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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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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033989
PNG
(1-{5-[4,5-Bis-(4-methanesulfonyl-phenyl)-1H-imidaz...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)S(C)(=O)=O)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4O5S3/c1-4-5-6-7-9-22-42(36(43)39-32-21-16-28(37)25-31(32)38)23-10-8-11-24-48-35-40-33(26-12-17-29(18-13-26)49(2,44)45)34(41-35)27-14-19-30(20-15-27)50(3,46)47/h12-21,25H,4-11,22-24H2,1-3H3,(H,39,43)(H,40,41)
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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
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)


Article DOI: 10.1021/jm00007a004
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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n/an/a 50n/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)


Article DOI: 10.1021/jm00007a004
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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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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033973
PNG
(1-{5-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidaz...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H38F8N4OS/c1-2-3-4-5-7-20-48(34(49)45-30-19-18-28(37)23-29(30)38)21-8-6-9-22-50-33-46-31(24-10-14-26(15-11-24)35(39,40)41)32(47-33)25-12-16-27(17-13-25)36(42,43)44/h10-19,23H,2-9,20-22H2,1H3,(H,45,49)(H,46,47)
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n/an/a 3.99E+4n/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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
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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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)


Article DOI: 10.1021/jm00007a004
BindingDB Entry DOI: 10.7270/Q28S4P0T
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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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)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Acyl coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
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 1.00E+3n/an/an/an/an/an/a



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)
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