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Articleid 50029546

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 1


(Rattus norvegicus)		BDBM50450347
PNG
(CHEMBL431940)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCCCCN(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C51H56F2N8OS2/c1-59(2)41-26-21-38(22-27-41)47-48(39-23-28-42(29-24-39)60(3)4)58-50(57-47)64-34-16-8-14-32-61(51(62)54-44-30-25-40(52)35-43(44)53)31-13-7-15-33-63-49-55-45(36-17-9-5-10-18-36)46(56-49)37-19-11-6-12-20-37/h5-6,9-12,17-30,35H,7-8,13-16,31-34H2,1-4H3,(H,54,62)(H,55,56)(H,57,58)
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The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


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

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 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 1


(Rattus norvegicus)		BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
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The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


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

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


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

Curated by ChEMBL


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

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(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 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 1


(Mus musculus)		BDBM50450361
PNG
(CHEMBL300913)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O3S/c1-23(2)34-32(38)37(22-26-10-6-7-19-33-26)20-8-5-9-21-41-31-35-29(24-11-15-27(39-3)16-12-24)30(36-31)25-13-17-28(40-4)18-14-25/h6-7,10-19,23H,5,8-9,20-22H2,1-4H3,(H,34,38)(H,35,36)
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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 1


(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
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50450366
PNG
(CHEMBL49265)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C33H41N5O3S/c1-24(2)35-33(39)38(22-19-27-10-6-7-20-34-27)21-8-5-9-23-42-32-36-30(25-11-15-28(40-3)16-12-25)31(37-32)26-13-17-29(41-4)18-14-26/h6-7,10-18,20,24H,5,8-9,19,21-23H2,1-4H3,(H,35,39)(H,36,37)
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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 1


(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 1


(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
Sterol O-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
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50450365
PNG
(CHEMBL298651)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C29H33N5OS/c1-22(2)31-29(35)34(25-18-10-11-19-30-25)20-12-5-13-21-36-28-32-26(23-14-6-3-7-15-23)27(33-28)24-16-8-4-9-17-24/h3-4,6-11,14-19,22H,5,12-13,20-21H2,1-2H3,(H,31,35)(H,32,33)
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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 1


(Rattus norvegicus)		BDBM50450348
PNG
(CHEMBL51282)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccc(cc2)N(C)C)-c2ccc(cc2)N(C)C)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C42H50N8OS2/c1-47(2)33-17-9-29(10-18-33)37-38(30-11-19-34(20-12-30)48(3)4)44-41(43-37)52-27-25-51-26-28-53-42-45-39(31-13-21-35(22-14-31)49(5)6)40(46-42)32-15-23-36(24-16-32)50(7)8/h9-24H,25-28H2,1-8H3,(H,43,44)(H,45,46)
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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 1


(Rattus norvegicus)		BDBM50450353
PNG
(CHEMBL299178)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCc1ccccn1
Show InChI InChI=1S/C31H37N5OS/c1-24(2)33-31(37)36(22-19-27-18-10-11-20-32-27)21-12-5-13-23-38-30-34-28(25-14-6-3-7-15-25)29(35-30)26-16-8-4-9-17-26/h3-4,6-11,14-18,20,24H,5,12-13,19,21-23H2,1-2H3,(H,33,37)(H,34,35)
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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 1


(Mus musculus)		BDBM50450364
PNG
(CHEMBL50171)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C35H35F2N5O3S/c1-44-28-14-9-24(10-15-28)32-33(25-11-16-29(45-2)17-12-25)41-34(40-32)46-21-7-3-6-20-42(23-27-8-4-5-19-38-27)35(43)39-31-18-13-26(36)22-30(31)37/h4-5,8-19,22H,3,6-7,20-21,23H2,1-2H3,(H,39,43)(H,40,41)
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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 1


(Rattus norvegicus)		BDBM50450354
PNG
(CHEMBL48840)
Show SMILES Cc1nc2ccccc2n1CCCSCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H30N4S2/c1-22-30-25-16-8-9-17-26(25)33(22)18-10-19-34-20-11-21-35-29-31-27(23-12-4-2-5-13-23)28(32-29)24-14-6-3-7-15-24/h2-9,12-17H,10-11,18-21H2,1H3,(H,31,32)
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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 1


(Rattus norvegicus)		BDBM50450366
PNG
(CHEMBL49265)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C33H41N5O3S/c1-24(2)35-33(39)38(22-19-27-10-6-7-20-34-27)21-8-5-9-23-42-32-36-30(25-11-15-28(40-3)16-12-25)31(37-32)26-13-17-29(41-4)18-14-26/h6-7,10-18,20,24H,5,8-9,19,21-23H2,1-4H3,(H,35,39)(H,36,37)
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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 1


(Rattus norvegicus)		BDBM50450367
PNG
(CHEMBL48383)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C36H37F2N5O3S/c1-45-29-14-9-25(10-15-29)33-34(26-11-16-30(46-2)17-12-26)42-35(41-33)47-23-7-3-6-21-43(22-19-28-8-4-5-20-39-28)36(44)40-32-18-13-27(37)24-31(32)38/h4-5,8-18,20,24H,3,6-7,19,21-23H2,1-2H3,(H,40,44)(H,41,42)
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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 1


(Rattus norvegicus)		BDBM50450359
PNG
(CHEMBL48271)
Show SMILES C(CCSCc1ccccn1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3S2/c1-4-12-21(13-5-1)24-25(22-14-6-2-7-15-22)29-26(28-24)31-19-11-3-10-18-30-20-23-16-8-9-17-27-23/h1-2,4-9,12-17H,3,10-11,18-20H2,(H,28,29)
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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 1


(Mus musculus)		BDBM50450348
PNG
(CHEMBL51282)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccc(cc2)N(C)C)-c2ccc(cc2)N(C)C)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C42H50N8OS2/c1-47(2)33-17-9-29(10-18-33)37-38(30-11-19-34(20-12-30)48(3)4)44-41(43-37)52-27-25-51-26-28-53-42-45-39(31-13-21-35(22-14-31)49(5)6)40(46-42)32-15-23-36(24-16-32)50(7)8/h9-24H,25-28H2,1-8H3,(H,43,44)(H,45,46)
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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 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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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 1


(Rattus norvegicus)		BDBM50450362
PNG
(CHEMBL297241)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c2ccccn2)c(F)c1
Show InChI InChI=1S/C32H29F2N5OS/c33-25-17-18-27(26(34)22-25)36-32(40)39(28-16-8-9-19-35-28)20-10-3-11-21-41-31-37-29(23-12-4-1-5-13-23)30(38-31)24-14-6-2-7-15-24/h1-2,4-9,12-19,22H,3,10-11,20-21H2,(H,36,40)(H,37,38)
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The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


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

Bioorg Med Chem Lett 5: 173-6 (1995)


BindingDB Entry DOI: 10.7270/Q2T72HDT
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50450367
PNG
(CHEMBL48383)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2ccccn2)C(=O)Nc2ccc(F)cc2F)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C36H37F2N5O3S/c1-45-29-14-9-25(10-15-29)33-34(26-11-16-30(46-2)17-12-26)42-35(41-33)47-23-7-3-6-21-43(22-19-28-8-4-5-20-39-28)36(44)40-32-18-13-27(37)24-31(32)38/h4-5,8-18,20,24H,3,6-7,19,21-23H2,1-2H3,(H,40,44)(H,41,42)
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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 1


(Mus musculus)		BDBM50450362
PNG
(CHEMBL297241)
Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c2ccccn2)c(F)c1
Show InChI InChI=1S/C32H29F2N5OS/c33-25-17-18-27(26(34)22-25)36-32(40)39(28-16-8-9-19-35-28)20-10-3-11-21-41-31-37-29(23-12-4-1-5-13-23)30(38-31)24-14-6-2-7-15-24/h1-2,4-9,12-19,22H,3,10-11,20-21H2,(H,36,40)(H,37,38)
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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 1


(Mus musculus)		BDBM50450365
PNG
(CHEMBL298651)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C29H33N5OS/c1-22(2)31-29(35)34(25-18-10-11-19-30-25)20-12-5-13-21-36-28-32-26(23-14-6-3-7-15-23)27(33-28)24-16-8-4-9-17-24/h3-4,6-11,14-19,22H,5,12-13,20-21H2,1-2H3,(H,31,35)(H,32,33)
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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 1


(Rattus norvegicus)		BDBM50450360
PNG
(CHEMBL49855)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2[nH]cnc3ncnc23)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H32N8OS2/c1-35(2)21-9-5-19(6-10-21)23-24(20-7-11-22(12-8-20)36(3)4)34-28(33-23)39-16-14-37-13-15-38-27-25-26(30-17-29-25)31-18-32-27/h5-12,17-18H,13-16H2,1-4H3,(H,33,34)(H,29,30,31,32)
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n/an/a 2.04E+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
Sterol O-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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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 1


(Mus musculus)		BDBM50450360
PNG
(CHEMBL49855)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCCOCCSc2[nH]cnc3ncnc23)[nH]c1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H32N8OS2/c1-35(2)21-9-5-19(6-10-21)23-24(20-7-11-22(12-8-20)36(3)4)34-28(33-23)39-16-14-37-13-15-38-27-25-26(30-17-29-25)31-18-32-27/h5-12,17-18H,13-16H2,1-4H3,(H,33,34)(H,29,30,31,32)
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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 1


(Mus musculus)		BDBM50450353
PNG
(CHEMBL299178)
Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CCc1ccccn1
Show InChI InChI=1S/C31H37N5OS/c1-24(2)33-31(37)36(22-19-27-18-10-11-20-32-27)21-12-5-13-23-38-30-34-28(25-14-6-3-7-15-25)29(35-30)26-16-8-4-9-17-26/h3-4,6-11,14-18,20,24H,5,12-13,19,21-23H2,1-2H3,(H,33,37)(H,34,35)
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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 1


(Mus musculus)		BDBM50450363
PNG
(CHEMBL301495)
Show SMILES COc1ccc(cc1)-c1nc(SCCOCCn2c(C)nc3ccccc23)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H30N4O3S/c1-20-30-25-6-4-5-7-26(25)33(20)16-17-36-18-19-37-29-31-27(21-8-12-23(34-2)13-9-21)28(32-29)22-10-14-24(35-3)15-11-22/h4-15H,16-19H2,1-3H3,(H,31,32)
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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 1


(Mus musculus)		BDBM50450351
PNG
(CHEMBL445610)
Show SMILES COc1ccc(cc1)-c1nc(SCCOCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C36H34N4O3S2/c1-41-29-17-13-27(14-18-29)33-34(28-15-19-30(42-2)20-16-28)40-36(39-33)45-24-22-43-21-23-44-35-37-31(25-9-5-3-6-10-25)32(38-35)26-11-7-4-8-12-26/h3-20H,21-24H2,1-2H3,(H,37,38)(H,39,40)
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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 1


(Mus musculus)		BDBM50450355
PNG
(CHEMBL50471)
Show SMILES C(CCOCCc1ccccn1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H29N3OS/c1-4-12-22(13-5-1)25-26(23-14-6-2-7-15-23)30-27(29-25)32-21-11-3-10-19-31-20-17-24-16-8-9-18-28-24/h1-2,4-9,12-16,18H,3,10-11,17,19-21H2,(H,29,30)
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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 1


(Mus musculus)		BDBM50450359
PNG
(CHEMBL48271)
Show SMILES C(CCSCc1ccccn1)CCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3S2/c1-4-12-21(13-5-1)24-25(22-14-6-2-7-15-22)29-26(28-24)31-19-11-3-10-18-30-20-23-16-8-9-17-27-23/h1-2,4-9,12-17H,3,10-11,18-20H2,(H,28,29)
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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 1


(Mus musculus)		BDBM50450356
PNG
(CHEMBL301924)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCc2nn[nH]n2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H38N8O3S/c1-20(2)30-29(38)37(18-16-25-33-35-36-34-25)17-6-5-7-19-41-28-31-26(21-8-12-23(39-3)13-9-21)27(32-28)22-10-14-24(40-4)15-11-22/h8-15,20H,5-7,16-19H2,1-4H3,(H,30,38)(H,31,32)(H,33,34,35,36)
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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 1


(Mus musculus)		BDBM50450358
PNG
(CHEMBL50381)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(CCCn2ccnc2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C32H42N6O3S/c1-24(2)34-32(39)38(20-8-18-37-21-17-33-23-37)19-6-5-7-22-42-31-35-29(25-9-13-27(40-3)14-10-25)30(36-31)26-11-15-28(41-4)16-12-26/h9-17,21,23-24H,5-8,18-20,22H2,1-4H3,(H,34,39)(H,35,36)
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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 1


(Rattus norvegicus)		BDBM50450361
PNG
(CHEMBL300913)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCCN(Cc2ccccn2)C(=O)NC(C)C)[nH]c1-c1ccc(OC)cc1
Show InChI InChI=1S/C32H39N5O3S/c1-23(2)34-32(38)37(22-26-10-6-7-19-33-26)20-8-5-9-21-41-31-35-29(24-11-15-27(39-3)16-12-24)30(36-31)25-13-17-28(40-4)18-14-25/h6-7,10-19,23H,5,8-9,20-22H2,1-4H3,(H,34,38)(H,35,36)
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n/an/a 6.23E+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
Sterol O-acyltransferase 1


(Mus musculus)		BDBM50450352
PNG
(CHEMBL406757)
Show SMILES C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)OCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C34H30N4OS2/c1-5-13-25(14-6-1)29-30(26-15-7-2-8-16-26)36-33(35-29)40-23-21-39-22-24-41-34-37-31(27-17-9-3-10-18-27)32(38-34)28-19-11-4-12-20-28/h1-20H,21-24H2,(H,35,36)(H,37,38)
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n/an/a 6.55E+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 1


(Mus musculus)		BDBM50450354
PNG
(CHEMBL48840)
Show SMILES Cc1nc2ccccc2n1CCCSCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H30N4S2/c1-22-30-25-16-8-9-17-26(25)33(22)18-10-19-34-20-11-21-35-29-31-27(23-12-4-2-5-13-23)28(32-29)24-14-6-3-7-15-24/h2-9,12-17H,10-11,18-21H2,1H3,(H,31,32)
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n/an/a 7.27E+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 1


(Mus musculus)		BDBM50450349
PNG
(CHEMBL275305)
Show SMILES C(CSCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C36H34N4S3/c1-5-15-27(16-6-1)31-32(28-17-7-2-8-18-28)38-35(37-31)42-25-13-23-41-24-14-26-43-36-39-33(29-19-9-3-10-20-29)34(40-36)30-21-11-4-12-22-30/h1-12,15-22H,13-14,23-26H2,(H,37,38)(H,39,40)
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n/an/a 7.96E+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
* indicates data uncertainty>20%