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PubMed code 8691430

Compile data set for download or QSAR
Found 42 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, Soat


(Rattus norvegicus)
BDBM50051461
PNG
(CHEMBL264861 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051466
PNG
(CHEMBL175982 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...)
Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-25-29-31-32(30-25)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rabbit intestine


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051456
PNG
(CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051474
PNG
(CHEMBL78038 | N-(4,6-Dimethoxy-pyrimidin-5-yl)-2-(...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)ncnc1OC)c1ccccc1
Show InChI InChI=1S/C27H39N7O3/c1-4-5-6-7-8-9-10-11-12-16-19-34-32-24(31-33-34)22(21-17-14-13-15-18-21)25(35)30-23-26(36-2)28-20-29-27(23)37-3/h13-15,17-18,20,22H,4-12,16,19H2,1-3H3,(H,30,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051478
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(1,3,5-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(C)nn(C)c1C)c1ccccc1
Show InChI InChI=1S/C27H41N7O/c1-5-6-7-8-9-10-11-12-13-17-20-34-31-26(29-32-34)24(23-18-15-14-16-19-23)27(35)28-25-21(2)30-33(4)22(25)3/h14-16,18-19,24H,5-13,17,20H2,1-4H3,(H,28,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051452
PNG
(CHEMBL80270 | N-(2,6-Diisopropyl-phenyl)-2-(5-dode...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-30-35-37-38(36-30)32(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,32H,6-14,18,24H2,1-5H3,(H,34,39)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051454
PNG
(2-(5-Dodecyl-tetrazol-2-yl)-2-phenyl-N-(2,4,6-trim...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-27-32-34-35(33-27)29(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,29H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051445
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(OC)cc(OC)cc2OC)n1
Show InChI InChI=1S/C24H39N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-29-27-22(26-28-29)18-23(30)25-24-20(32-3)16-19(31-2)17-21(24)33-4/h16-17H,5-15,18H2,1-4H3,(H,25,30)
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051469
PNG
(2-(2-Dodec-11-enyl-2H-tetrazol-5-yl)-2-phenyl-N-(2...)
Show SMILES COc1cc(OC)c(NC(=O)C(c2nnn(CCCCCCCCCCC=C)n2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C30H41N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h5,14-16,18-19,21-22,27H,1,6-13,17,20H2,2-4H3,(H,31,36)
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051465
PNG
(CHEMBL78106 | N-(2,6-Diisopropyl-phenyl)-2-(2-dode...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccn1
Show InChI InChI=1S/C32H48N6O/c1-6-7-8-9-10-11-12-13-14-17-23-38-36-31(35-37-38)29(28-21-15-16-22-33-28)32(39)34-30-26(24(2)3)19-18-20-27(30)25(4)5/h15-16,18-22,24-25,29H,6-14,17,23H2,1-5H3,(H,34,39)
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051458
PNG
(2-Cyclohexyl-2-(2-dodecyl-2H-tetrazol-5-yl)-N-(2,4...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C1CCCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C30H49N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h21-23,27H,5-20H2,1-4H3,(H,31,36)
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051459
PNG
(CHEMBL77319 | N-(2,6-Diisopropyl-phenyl)-3-(2-dode...)
Show SMILES CCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C28H47N5O/c1-6-7-8-9-10-11-12-13-14-15-21-33-31-26(30-32-33)19-20-27(34)29-28-24(22(2)3)17-16-18-25(28)23(4)5/h16-18,22-23H,6-15,19-21H2,1-5H3,(H,29,34)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051453
PNG
(CHEMBL78270 | N-(2,4-Difluoro-phenyl)-2-(2-dodecyl...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ccc(F)cc1F)c1ccccc1
Show InChI InChI=1S/C27H35F2N5O/c1-2-3-4-5-6-7-8-9-10-14-19-34-32-26(31-33-34)25(21-15-12-11-13-16-21)27(35)30-24-18-17-22(28)20-23(24)29/h11-13,15-18,20,25H,2-10,14,19H2,1H3,(H,30,35)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051455
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H41N5O4/c1-6-7-8-9-10-11-12-13-14-15-16-30-28-24(27-29-30)19(2)25(31)26-23-21(33-4)17-20(32-3)18-22(23)34-5/h17-19H,6-16H2,1-5H3,(H,26,31)
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051476
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C26H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-31-29-24(28-30-31)26(2,3)25(32)27-23-21(34-5)18-20(33-4)19-22(23)35-6/h18-19H,7-17H2,1-6H3,(H,27,32)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051468
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-(4-fluoro-phenyl)...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(F)cc1
Show InChI InChI=1S/C30H42FN5O4/c1-5-6-7-8-9-10-11-12-13-14-19-36-34-29(33-35-36)27(22-15-17-23(31)18-16-22)30(37)32-28-25(39-3)20-24(38-2)21-26(28)40-4/h15-18,20-21,27H,5-14,19H2,1-4H3,(H,32,37)
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051470
PNG
(2-(2-Hexadecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6...)
Show SMILES CCCCCCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C34H51N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-39-37-33(36-38-39)31(27-22-19-18-20-23-27)34(40)35-32-29(42-3)25-28(41-2)26-30(32)43-4/h18-20,22-23,25-26,31H,5-17,21,24H2,1-4H3,(H,35,40)
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n/an/a 53n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051462
PNG
(2-Phenyl-N-(2,4,6-trimethoxy-phenyl)-2-(2-undec-10...)
Show SMILES COc1cc(OC)c(NC(=O)C(c2nnn(CCCCCCCCCC=C)n2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C29H39N5O4/c1-5-6-7-8-9-10-11-12-16-19-34-32-28(31-33-34)26(22-17-14-13-15-18-22)29(35)30-27-24(37-3)20-23(36-2)21-25(27)38-4/h5,13-15,17-18,20-21,26H,1,6-12,16,19H2,2-4H3,(H,30,35)
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n/an/a 54n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051440
PNG
(2-(5-Dodecyl-tetrazol-2-yl)-N-(2,4,6-trimethoxy-ph...)
Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(OC)cc(OC)cc2OC)n1
Show InChI InChI=1S/C24H39N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-22-26-28-29(27-22)18-23(30)25-24-20(32-3)16-19(31-2)17-21(24)33-4/h16-17H,5-15,18H2,1-4H3,(H,25,30)
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n/an/a 56n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051464
PNG
(1-(2-Dodecyl-2H-tetrazol-5-yl)-cyclopentanecarboxy...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C1(CCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C28H45N5O4/c1-5-6-7-8-9-10-11-12-13-16-19-33-31-26(30-32-33)28(17-14-15-18-28)27(34)29-25-23(36-3)20-22(35-2)21-24(25)37-4/h20-21H,5-19H2,1-4H3,(H,29,34)
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n/an/a 63n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051463
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ncccc1C)c1ccccc1
Show InChI InChI=1S/C27H38N6O/c1-3-4-5-6-7-8-9-10-11-15-21-33-31-26(30-32-33)24(23-18-13-12-14-19-23)27(34)29-25-22(2)17-16-20-28-25/h12-14,16-20,24H,3-11,15,21H2,1-2H3,(H,28,29,34)
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n/an/a 85n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051448
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-(4-methoxy-phenyl...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(OC)cc1
Show InChI InChI=1S/C31H45N5O5/c1-6-7-8-9-10-11-12-13-14-15-20-36-34-30(33-35-36)28(23-16-18-24(38-2)19-17-23)31(37)32-29-26(40-4)21-25(39-3)22-27(29)41-5/h16-19,21-22,28H,6-15,20H2,1-5H3,(H,32,37)
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051450
PNG
(2-Biphenyl-4-yl-2-(2-dodecyl-2H-tetrazol-5-yl)-N-(...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H47N5O4/c1-5-6-7-8-9-10-11-12-13-17-24-41-39-35(38-40-41)33(29-22-20-28(21-23-29)27-18-15-14-16-19-27)36(42)37-34-31(44-3)25-30(43-2)26-32(34)45-4/h14-16,18-23,25-26,33H,5-13,17,24H2,1-4H3,(H,37,42)
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n/an/a 221n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051473
PNG
(CHEMBL80781 | N-Cyclopropyl-2-(2-dodecyl-2H-tetraz...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)NC1CC1)c1ccccc1
Show InChI InChI=1S/C24H37N5O/c1-2-3-4-5-6-7-8-9-10-14-19-29-27-23(26-28-29)22(20-15-12-11-13-16-20)24(30)25-21-17-18-21/h11-13,15-16,21-22H,2-10,14,17-19H2,1H3,(H,25,30)
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n/an/a 244n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051472
PNG
(2-(2-Octyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-tri...)
Show SMILES CCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C26H35N5O4/c1-5-6-7-8-9-13-16-31-29-25(28-30-31)23(19-14-11-10-12-15-19)26(32)27-24-21(34-3)17-20(33-2)18-22(24)35-4/h10-12,14-15,17-18,23H,5-9,13,16H2,1-4H3,(H,27,32)
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n/an/a 270n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051447
PNG
(3-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(OC)cc(OC)cc2OC)n1
Show InChI InChI=1S/C25H41N5O4/c1-5-6-7-8-9-10-11-12-13-14-17-30-28-23(27-29-30)15-16-24(31)26-25-21(33-3)18-20(32-2)19-22(25)34-4/h18-19H,5-17H2,1-4H3,(H,26,31)
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051449
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2,N-diphenyl-acetam...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H37N5O/c1-2-3-4-5-6-7-8-9-10-17-22-32-30-26(29-31-32)25(23-18-13-11-14-19-23)27(33)28-24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3,(H,28,33)
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051451
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ccccn1)c1ccccc1
Show InChI InChI=1S/C26H36N6O/c1-2-3-4-5-6-7-8-9-10-16-21-32-30-25(29-31-32)24(22-17-12-11-13-18-22)26(33)28-23-19-14-15-20-27-23/h11-15,17-20,24H,2-10,16,21H2,1H3,(H,27,28,33)
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051441
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-3-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(Cc1ccccc1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C31H45N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-36-34-30(33-35-36)26(21-24-18-15-14-16-19-24)31(37)32-29-27(39-3)22-25(38-2)23-28(29)40-4/h14-16,18-19,22-23,26H,5-13,17,20-21H2,1-4H3,(H,32,37)
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n/an/a 490n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051477
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-pyridin-2-yl-N-(2...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccn1
Show InChI InChI=1S/C29H42N6O4/c1-5-6-7-8-9-10-11-12-13-16-19-35-33-28(32-34-35)26(23-17-14-15-18-30-23)29(36)31-27-24(38-3)20-22(37-2)21-25(27)39-4/h14-15,17-18,20-21,26H,5-13,16,19H2,1-4H3,(H,31,36)
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n/an/a 590n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051475
PNG
(2-(4-Dimethylamino-phenyl)-2-(2-dodecyl-2H-tetrazo...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C32H48N6O4/c1-7-8-9-10-11-12-13-14-15-16-21-38-35-31(34-36-38)29(24-17-19-25(20-18-24)37(2)3)32(39)33-30-27(41-5)22-26(40-4)23-28(30)42-6/h17-20,22-23,29H,7-16,21H2,1-6H3,(H,33,39)
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n/an/a 659n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051446
PNG
(2-Dodecyl-2H-tetrazole-5-carboxylic acid (2,6-diis...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H43N5O/c1-6-7-8-9-10-11-12-13-14-15-19-31-29-25(28-30-31)26(32)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,32)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051471
PNG
(CHEMBL75694 | N-(5,7-Dimethyl-[1,8]naphthyridin-2-...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ccc2c(C)cc(C)nc2n1)c1ccccc1
Show InChI InChI=1S/C31H41N7O/c1-4-5-6-7-8-9-10-11-12-16-21-38-36-30(35-37-38)28(25-17-14-13-15-18-25)31(39)34-27-20-19-26-23(2)22-24(3)32-29(26)33-27/h13-15,17-20,22,28H,4-12,16,21H2,1-3H3,(H,32,33,34,39)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051439
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-fluoro-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(F)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C24H38FN5O4/c1-5-6-7-8-9-10-11-12-13-14-15-30-28-23(27-29-30)21(25)24(31)26-22-19(33-3)16-18(32-2)17-20(22)34-4/h16-17,21H,5-15H2,1-4H3,(H,26,31)
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n/an/a 1.76E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051467
PNG
(CHEMBL76978 | N-tert-Butyl-2-(2-dodecyl-2H-tetrazo...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C25H41N5O/c1-5-6-7-8-9-10-11-12-13-17-20-30-28-23(27-29-30)22(21-18-15-14-16-19-21)24(31)26-25(2,3)4/h14-16,18-19,22H,5-13,17,20H2,1-4H3,(H,26,31)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051442
PNG
(2-Cyano-N-(2,6-diisopropyl-phenyl)-2-(2-dodecyl-2H...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C#N)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H44N6O/c1-6-7-8-9-10-11-12-13-14-15-19-34-32-27(31-33-34)25(20-29)28(35)30-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,25H,6-15,19H2,1-5H3,(H,30,35)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051444
PNG
(CHEMBL77474 | N-(2,6-Diisopropyl-phenyl)-2-(2-dode...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1nnn[nH]1
Show InChI InChI=1S/C28H45N9O/c1-6-7-8-9-10-11-12-13-14-15-19-37-33-27(32-36-37)24(26-30-34-35-31-26)28(38)29-25-22(20(2)3)17-16-18-23(25)21(4)5/h16-18,20-21,24H,6-15,19H2,1-5H3,(H,29,38)(H,30,31,34,35)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051443
PNG
(2-Cyano-2-(2-dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-tr...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C#N)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H38N6O4/c1-5-6-7-8-9-10-11-12-13-14-15-31-29-24(28-30-31)20(18-26)25(32)27-23-21(34-3)16-19(33-2)17-22(23)35-4/h16-17,20H,5-15H2,1-4H3,(H,27,32)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50051457
PNG
(2-Dodecyl-2H-tetrazole-5-carboxylic acid (2,4,6-tr...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H37N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-28-26-22(25-27-28)23(29)24-21-19(31-3)16-18(30-2)17-20(21)32-4/h16-17H,5-15H2,1-4H3,(H,24,29)
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n/an/a 3.56E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.


J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%