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12 similar compounds to monomer 50450346

Compile data set for download or QSAR
Wt: 587.7
BDBM50450366
Wt: 578.7
BDBM50450356
Wt: 590.7
BDBM50450358
Wt: 803.0
BDBM50450345
Wt: 510.6
BDBM50033948
Wt: 580.8
BDBM50033981
Wt: 538.7
BDBM50033971
Wt: 584.7
BDBM50033972
Wt: 520.7
BDBM50037622
Wt: 492.7
BDBM50037628
Wt: 560.8
BDBM50037664
Wt: 520.7
BDBM50037665

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50450366,50450356,50450358,50450345,50033948,50033981,50033971,50033972,50037622,50037628,50037664,50037665   
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)
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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n/an/a 5.50E+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
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
Acyl coenzyme A:cholesterol 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, 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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n/an/a 90n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


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


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


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


(Rattus norvegicus)
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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n/an/a 260n/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)
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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n/an/a 5.50E+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)
BDBM50037665
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4OS/c1-4-5-6-7-15-22-35(31(36)32-25(2)3)23-16-10-17-24-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,33,34)
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n/an/a 20n/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)
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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n/an/a 30n/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)
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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n/an/a 160n/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)
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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n/an/a 500n/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)
BDBM50037622
PNG
(1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NCCC
Show InChI InChI=1S/C31H44N4OS/c1-3-5-6-7-15-23-35(31(36)32-22-4-2)24-16-10-17-25-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,36)(H,33,34)
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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)
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)
BDBM50037664
PNG
(3-Cyclohexyl-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsu...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H48N4OS/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/h6-7,10-13,19-22,30H,2-5,8-9,14-18,23-27H2,1H3,(H,35,39)(H,36,37)
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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)
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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n/an/a 90n/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