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44 similar compounds to monomer 50037666

Compile data set for download or QSAR
Wt: 603.7
BDBM50450330
Wt: 899.1
BDBM50450347
Wt: 597.7
BDBM50450350
Wt: 682.9
BDBM50033978
Wt: 605.7
BDBM50033951
Wt: 676.9
BDBM50033952
Wt: 605.7
BDBM50033953
Wt: 640.7
BDBM50033979
Wt: 591.7
BDBM50033954
Wt: 608.7
BDBM50033957
Wt: 746.9
BDBM50033989
Wt: 592.7
BDBM50033990
Wt: 654.7
BDBM50033962
Wt: 618.8
BDBM50033964
Wt: 622.7
BDBM50033996
Displayed 1 to 15 (of 43 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50450330,50450347,50450350,50033978,50033951,50033952,50033953,50033979,50033954,50033957,50033989,50033990,50033962,50033964,50033996   
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)
BDBM50450330
PNG
(CHEMBL295251)
Show SMILES CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H39F2N5OS/c1-2-3-4-5-13-22-41(34(42)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-43-33-38-31(26-16-9-6-10-17-26)32(39-40-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,42)
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n/an/a 1.06E+4n/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)
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)
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 80n/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)
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)
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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n/an/a 170n/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)
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)


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)
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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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)
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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n/an/a 230n/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)
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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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)
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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UniProtKB/SwissProt

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Article
PubMed
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)
BDBM50450330
PNG
(CHEMBL295251)
Show SMILES CCCCCCCN(CCCCCSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H39F2N5OS/c1-2-3-4-5-13-22-41(34(42)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-43-33-38-31(26-16-9-6-10-17-26)32(39-40-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,42)
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n/an/a 440n/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