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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'cromley' and Initial = 'd'   
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)
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)
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)
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)
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)
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)
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)
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)
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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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)
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)
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)
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)
BDBM50033995
PNG
(3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(1H-8-oxa-1,...)
Show SMILES CCCCCCCN(CCCCCSc1nc-2c([nH]1)-c1ccccc1Oc1ccccc-21)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H38F2N4O2S/c1-2-3-4-5-11-20-40(34(41)37-28-19-18-24(35)23-27(28)36)21-12-6-13-22-43-33-38-31-25-14-7-9-16-29(25)42-30-17-10-8-15-26(30)32(31)39-33/h7-10,14-19,23H,2-6,11-13,20-22H2,1H3,(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)
BDBM50033984
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-di-thiophen-2-yl...)
Show SMILES CCCCCCCN(CCCCCSc1nc(-c2cccs2)c([nH]1)-c1cccs1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C30H36F2N4OS3/c1-2-3-4-5-7-16-36(30(37)33-24-15-14-22(31)21-23(24)32)17-8-6-9-18-40-29-34-27(25-12-10-19-38-25)28(35-29)26-13-11-20-39-26/h10-15,19-21H,2-9,16-18H2,1H3,(H,33,37)(H,34,35)
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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)
BDBM50033974
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-dipropyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(CCC)c(CCC)[nH]1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C28H44F2N4OS/c1-4-7-8-9-11-18-34(28(35)33-24-17-16-22(29)21-23(24)30)19-12-10-13-20-36-27-31-25(14-5-2)26(32-27)15-6-3/h16-17,21H,4-15,18-20H2,1-3H3,(H,31,32)(H,33,35)
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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)
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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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)
BDBM50033978
PNG
(1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazo...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4OS3/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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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)
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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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)
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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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)
BDBM50033980
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)NC(C)C
Show InChI InChI=1S/C35H54N6OS/c1-8-9-10-11-13-24-41(35(42)36-27(2)3)25-14-12-15-26-43-34-37-32(28-16-20-30(21-17-28)39(4)5)33(38-34)29-18-22-31(23-19-29)40(6)7/h16-23,27H,8-15,24-26H2,1-7H3,(H,36,42)(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)
BDBM50033990
PNG
(3-(2,4-Difluoro-phenyl)-1-{2-[2-(4,5-diphenyl-1H-i...)
Show SMILES CCCCCCCN(CCOCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N4O2S/c1-2-3-4-5-12-19-39(33(40)36-29-18-17-27(34)24-28(29)35)20-21-41-22-23-42-32-37-30(25-13-8-6-9-14-25)31(38-32)26-15-10-7-11-16-26/h6-11,13-18,24H,2-5,12,19-23H2,1H3,(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)
BDBM50033980
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)NC(C)C
Show InChI InChI=1S/C35H54N6OS/c1-8-9-10-11-13-24-41(35(42)36-27(2)3)25-14-12-15-26-43-34-37-32(28-16-20-30(21-17-28)39(4)5)33(38-34)29-18-22-31(23-19-29)40(6)7/h16-23,27H,8-15,24-26H2,1-7H3,(H,36,42)(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)
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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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)
BDBM50033948
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCOCCO
Show InChI InChI=1S/C28H38N4O3S/c1-22(2)29-28(34)32(17-19-35-20-18-33)16-10-5-11-21-36-27-30-25(23-12-6-3-7-13-23)26(31-27)24-14-8-4-9-15-24/h3-4,6-9,12-15,22,33H,5,10-11,16-21H2,1-2H3,(H,29,34)(H,30,31)
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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
Endothelial lipase


(Homo sapiens (Human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033982
PNG
(CHEMBL11303 | {5-[4,5-Bis-(4-dimethylamino-phenyl)...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)C(=O)Oc1ccccc1
Show InChI InChI=1S/C38H51N5O2S/c1-6-7-8-9-14-27-43(38(44)45-34-17-12-10-13-18-34)28-15-11-16-29-46-37-39-35(30-19-23-32(24-20-30)41(2)3)36(40-37)31-21-25-33(26-22-31)42(4)5/h10,12-13,17-26H,6-9,11,14-16,27-29H2,1-5H3,(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)
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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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)
BDBM50033981
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)NC(C)C
Show InChI InChI=1S/C33H48N4O3S/c1-6-7-8-9-11-22-37(33(38)34-25(2)3)23-12-10-13-24-41-32-35-30(26-14-18-28(39-4)19-15-26)31(36-32)27-16-20-29(40-5)21-17-27/h14-21,25H,6-13,22-24H2,1-5H3,(H,34,38)(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)
BDBM50033951
PNG
(3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-...)
Show SMILES CCCCCCCN(CCN(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H41F2N5OS/c1-3-4-5-6-13-20-41(34(42)37-30-19-18-28(35)25-29(30)36)22-21-40(2)23-24-43-33-38-31(26-14-9-7-10-15-26)32(39-33)27-16-11-8-12-17-27/h7-12,14-19,25H,3-6,13,20-24H2,1-2H3,(H,37,42)(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)
BDBM50033977
PNG
(1-{2-[2-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-et...)
Show SMILES CCCCCCCN(CCOCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C30H42N4O2S/c1-4-5-6-7-14-19-34(30(35)31-24(2)3)20-21-36-22-23-37-29-32-27(25-15-10-8-11-16-25)28(33-29)26-17-12-9-13-18-26/h8-13,15-18,24H,4-7,14,19-23H2,1-3H3,(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)
BDBM50033959
PNG
(1-(2-Butoxy-ethyl)-1-[5-(4,5-diphenyl-1H-imidazol-...)
Show SMILES CCCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C30H42N4O2S/c1-4-5-21-36-22-20-34(30(35)31-24(2)3)19-13-8-14-23-37-29-32-27(25-15-9-6-10-16-25)28(33-29)26-17-11-7-12-18-26/h6-7,9-12,15-18,24H,4-5,8,13-14,19-23H2,1-3H3,(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)
BDBM50033956
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-di-furan-2-yl-1H...)
Show SMILES CCCCCCCN(CCCCCSc1nc(-c2ccco2)c([nH]1)-c1ccco1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C30H36F2N4O3S/c1-2-3-4-5-7-16-36(30(37)33-24-15-14-22(31)21-23(24)32)17-8-6-9-20-40-29-34-27(25-12-10-18-38-25)28(35-29)26-13-11-19-39-26/h10-15,18-19,21H,2-9,16-17,20H2,1H3,(H,33,37)(H,34,35)
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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
Endothelial lipase


(Homo sapiens (Human))
BDBM50364285
PNG
(CHEMBL1952298)
Show SMILES CCCCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C17H29BO2/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)18(19)20/h12-15,19-20H,2-11H2,1H3
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Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033979
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCOCCO)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C33H38F2N4O5S/c1-42-26-11-6-23(7-12-26)30-31(24-8-13-27(43-2)14-9-24)38-32(37-30)45-21-5-3-4-16-39(17-19-44-20-18-40)33(41)36-29-15-10-25(34)22-28(29)35/h6-15,22,40H,3-5,16-21H2,1-2H3,(H,36,41)(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)
BDBM50033991
PNG
(3-(2,4-Difluoro-phenyl)-1-(2-{[2-(4,5-diphenyl-1H-...)
Show SMILES CN(CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C33H38F2N6O2S/c1-39(20-23-44-32-37-30(25-8-4-2-5-9-25)31(38-32)26-10-6-3-7-11-26)14-16-41(17-15-40-18-21-43-22-19-40)33(42)36-29-13-12-27(34)24-28(29)35/h2-13,24H,14-23H2,1H3,(H,36,42)(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)
BDBM50033994
PNG
(1-(2-{[2-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-e...)
Show SMILES CCCCCCCN(CCN(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H45N5OS/c1-5-6-7-8-15-20-36(31(37)32-25(2)3)22-21-35(4)23-24-38-30-33-28(26-16-11-9-12-17-26)29(34-30)27-18-13-10-14-19-27/h9-14,16-19,25H,5-8,15,20-24H2,1-4H3,(H,32,37)(H,33,34)
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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)
BDBM50033983
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCN2CCOCC2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C35H41F2N5O4S/c1-44-28-11-6-25(7-12-28)32-33(26-8-13-29(45-2)14-9-26)40-34(39-32)47-23-5-3-4-16-42(18-17-41-19-21-46-22-20-41)35(43)38-31-15-10-27(36)24-30(31)37/h6-15,24H,3-5,16-23H2,1-2H3,(H,38,43)(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)
BDBM50033976
PNG
(1-{5-[4,5-Bis-(4-methylsulfanyl-phenyl)-1H-imidazo...)
Show SMILES CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(SC)cc1)-c1ccc(SC)cc1)C(=O)NC(C)C
Show InChI InChI=1S/C32H46N4O3S3/c1-6-38-21-22-39-20-19-36(32(37)33-24(2)3)18-8-7-9-23-42-31-34-29(25-10-14-27(40-4)15-11-25)30(35-31)26-12-16-28(41-5)17-13-26/h10-17,24H,6-9,18-23H2,1-5H3,(H,33,37)(H,34,35)
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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
Endothelial lipase


(Homo sapiens (Human))
BDBM50364284
PNG
(CHEMBL1952297)
Show SMILES CCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3
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Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033962
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES COCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4O5S/c1-42-20-21-45-19-18-40(34(41)37-30-16-11-26(35)23-29(30)36)17-5-4-6-22-46-33-38-31(24-7-12-27(43-2)13-8-24)32(39-33)25-9-14-28(44-3)15-10-25/h7-16,23H,4-6,17-22H2,1-3H3,(H,37,41)(H,38,39)
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n/an/a 340n/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)
BDBM50033970
PNG
(1-(2-{[2-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-e...)
Show SMILES CC(C)NC(=O)N(CCN(C)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H42N6O2S/c1-24(2)31-30(37)36(17-15-35-18-21-38-22-19-35)16-14-34(3)20-23-39-29-32-27(25-10-6-4-7-11-25)28(33-29)26-12-8-5-9-13-26/h4-13,24H,14-23H2,1-3H3,(H,31,37)(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)
BDBM50033961
PNG
(1-{5-[4,5-Bis-(2-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1OC)-c1ccccc1OC)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C36H44F2N4O3S/c1-4-5-6-7-13-22-42(36(43)39-30-21-20-26(37)25-29(30)38)23-14-8-15-24-46-35-40-33(27-16-9-11-18-31(27)44-2)34(41-35)28-17-10-12-19-32(28)45-3/h9-12,16-21,25H,4-8,13-15,22-24H2,1-3H3,(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
Endothelial lipase


(Homo sapiens (Human))
BDBM50364283
PNG
(CHEMBL1952296)
Show SMILES CCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
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Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase overexpressed in HUVEC cells using bis-BD-PC and mono-BD-TG as substrate incubated for 10 mins prior to substr...


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50033965
PNG
(1-(2-{3-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCOCCN(CCOCCO)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H42N4O6S/c1-22(2)31-30(36)34(15-19-40-20-16-35)14-18-39-17-5-21-41-29-32-27(23-6-10-25(37-3)11-7-23)28(33-29)24-8-12-26(38-4)13-9-24/h6-13,22,35H,5,14-21H2,1-4H3,(H,31,36)(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)
BDBM50033972
PNG
(1-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-yls...)
Show SMILES COCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O5S/c1-23(2)32-31(36)35(18-19-40-21-20-37-3)17-7-6-8-22-41-30-33-28(24-9-13-26(38-4)14-10-24)29(34-30)25-11-15-27(39-5)16-12-25/h9-16,23H,6-8,17-22H2,1-5H3,(H,32,36)(H,33,34)
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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)
BDBM50033985
PNG
(CHEMBL11071 | {5-[4,5-Bis-(4-methoxy-phenyl)-1H-im...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)Oc1ccccc1
Show InChI InChI=1S/C36H45N3O4S/c1-4-5-6-7-12-25-39(36(40)43-32-15-10-8-11-16-32)26-13-9-14-27-44-35-37-33(28-17-21-30(41-2)22-18-28)34(38-35)29-19-23-31(42-3)24-20-29/h8,10-11,15-24H,4-7,9,12-14,25-27H2,1-3H3,(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)
BDBM50033987
PNG
(1-(2-Diethylamino-ethyl)-1-[5-(4,5-diphenyl-1H-imi...)
Show SMILES CCN(CC)CCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C30H43N5OS/c1-5-34(6-2)21-22-35(30(36)31-24(3)4)20-14-9-15-23-37-29-32-27(25-16-10-7-11-17-25)28(33-29)26-18-12-8-13-19-26/h7-8,10-13,16-19,24H,5-6,9,14-15,20-23H2,1-4H3,(H,31,36)(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)
BDBM50033986
PNG
(1-(2-{2-[4,5-Bis-(4-methoxy-phenyl)-1H-imidazol-2-...)
Show SMILES CCCCCCCN(CCOCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)NC(C)C
Show InChI InChI=1S/C32H46N4O4S/c1-6-7-8-9-10-19-36(32(37)33-24(2)3)20-21-40-22-23-41-31-34-29(25-11-15-27(38-4)16-12-25)30(35-31)26-13-17-28(39-5)18-14-26/h11-18,24H,6-10,19-23H2,1-5H3,(H,33,37)(H,34,35)
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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
Endothelial lipase


(Homo sapiens (Human))
BDBM26134
PNG
((4-nonylphenyl)boranediol | Phenylboronic Acid, 13)
Show SMILES CCCCCCCCCc1ccc(cc1)B(O)O
Show InChI InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human endothelial lipase expressed using recombinant adenovirus using glycerol-tri[9,10(n)-3H]oleate after 1 hr by vesicle assay


Bioorg Med Chem Lett 22: 1397-401 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.043
BindingDB Entry DOI: 10.7270/Q28G8M5N
More data for this
Ligand-Target Pair
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