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19 similar compounds to monomer 50037622

Compile data set for download or QSAR
Wt: 829.1
BDBM50450357
Wt: 863.1
BDBM50450346
Wt: 803.0
BDBM50450345
Wt: 510.6
BDBM50033948
Wt: 606.9
BDBM50033980
Wt: 580.8
BDBM50033981
Wt: 521.7
BDBM50033987
Wt: 522.7
BDBM50033959
Wt: 538.7
BDBM50033971
Wt: 630.8
BDBM50037621
Wt: 492.7
BDBM50037628
Wt: 582.8
BDBM50037616
Wt: 568.8
BDBM50037638
Wt: 478.6
BDBM50037639
Wt: 554.7
BDBM50037642
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50450357,50450346,50450345,50033948,50033980,50033981,50033987,50033959,50033971,50037621,50037628,50037616,50037638,50037639,50037642   
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)
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)
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)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
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)
BDBM50450345
PNG
(CHEMBL51643)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C46H54N6O3S2/c1-33(2)47-46(53)52(29-13-7-15-31-56-44-48-40(34-17-9-5-10-18-34)41(49-44)35-19-11-6-12-20-35)30-14-8-16-32-57-45-50-42(36-21-25-38(54-3)26-22-36)43(51-45)37-23-27-39(55-4)28-24-37/h5-6,9-12,17-28,33H,7-8,13-16,29-32H2,1-4H3,(H,47,53)(H,48,49)(H,50,51)
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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)
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
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)
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
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)
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)


Article DOI: 10.1021/jm00007a004
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)


Article DOI: 10.1021/jm00007a004
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)


Article DOI: 10.1021/jm00007a004
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)


Article DOI: 10.1021/jm00007a004
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)


Article DOI: 10.1021/jm00007a004
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)


Article DOI: 10.1021/jm00007a004
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)


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


(Rattus norvegicus)
BDBM50037616
PNG
(1-Benzyl-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfan...)
Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H46N4OS/c1-2-3-4-5-6-17-26-37-36(41)40(29-30-20-11-7-12-21-30)27-18-10-19-28-42-35-38-33(31-22-13-8-14-23-31)34(39-35)32-24-15-9-16-25-32/h7-9,11-16,20-25H,2-6,10,17-19,26-29H2,1H3,(H,37,41)(H,38,39)
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DuPont Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037621
PNG
(3-Biphenyl-4-yl-1-[5-(4,5-diphenyl-1H-imidazol-2-y...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C40H46N4OS/c1-2-3-4-5-16-29-44(40(45)41-36-27-25-33(26-28-36)32-19-10-6-11-20-32)30-17-9-18-31-46-39-42-37(34-21-12-7-13-22-34)38(43-39)35-23-14-8-15-24-35/h6-8,10-15,19-28H,2-5,9,16-18,29-31H2,1H3,(H,41,45)(H,42,43)
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n/an/a 70n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
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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n/an/a 40n/an/an/an/an/an/a



DuPont Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 37: 3511-22 (1994)


Article DOI: 10.1021/jm00047a009
BindingDB Entry DOI: 10.7270/Q2MK6BXK
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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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
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50037639
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C28H38N4OS/c1-2-3-4-5-13-20-32(27(29)33)21-14-8-15-22-34-28-30-25(23-16-9-6-10-17-23)26(31-28)24-18-11-7-12-19-24/h6-7,9-12,16-19H,2-5,8,13-15,20-22H2,1H3,(H2,29,33)(H,30,31)
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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)
BDBM50450345
PNG
(CHEMBL51643)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C46H54N6O3S2/c1-33(2)47-46(53)52(29-13-7-15-31-56-44-48-40(34-17-9-5-10-18-34)41(49-44)35-19-11-6-12-20-35)30-14-8-16-32-57-45-50-42(36-21-25-38(54-3)26-22-36)43(51-45)37-23-27-39(55-4)28-24-37/h5-6,9-12,17-28,33H,7-8,13-16,29-32H2,1-4H3,(H,47,53)(H,48,49)(H,50,51)
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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