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PubMed code 8893833

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
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054305
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-undecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C25H44N6O/c1-6-7-8-9-10-11-12-13-14-18-31-29-24(28-30-31)27-25(32)26-23-21(19(2)3)16-15-17-22(23)20(4)5/h15-17,19-20,30H,6-14,18H2,1-5H3,(H3,26,27,28,29,32)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054300
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-tridecyl-2,3-dihyd...)
Show SMILES CCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-16-20-33-31-26(30-32-33)29-27(34)28-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22,32H,6-16,20H2,1-5H3,(H3,28,29,30,31,34)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054279
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-19-33-31-25(30-32-33)20-28-27(34)29-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,32H,6-15,19-20H2,1-5H3,(H,30,31)(H2,28,29,34)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054288
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-tetradecyl-2,3-dih...)
Show SMILES CCCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C28H50N6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-34-32-27(31-33-34)30-28(35)29-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23,33H,6-17,21H2,1-5H3,(H3,29,30,31,32,35)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054281
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(34-32-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,33)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054278
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)no1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(32-34-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,32,33)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054284
PNG
(1-(2-Decyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,6-di...)
Show SMILES CCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C24H42N6O/c1-6-7-8-9-10-11-12-13-17-30-28-23(27-29-30)26-24(31)25-22-20(18(2)3)15-14-16-21(22)19(4)5/h14-16,18-19,29H,6-13,17H2,1-5H3,(H3,25,26,27,28,31)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054302
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C26H46N6O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)28-26(33)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21,31H,6-15,19H2,1-5H3,(H3,27,28,29,30,33)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054297
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-[1,3,4]ox...)
Show SMILES CCCCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)o1
Show InChI InChI=1S/C28H46N4O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-25-31-32-28(34-25)30-27(33)29-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H2,29,30,32,33)
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n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054294
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(3-dodecyl-isoxazol-5...)
Show SMILES CCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C28H45N3O2/c1-6-7-8-9-10-11-12-13-14-15-17-23-20-26(33-31-23)29-28(32)30-27-24(21(2)3)18-16-19-25(27)22(4)5/h16,18-22H,6-15,17H2,1-5H3,(H2,29,30,32)
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n/an/a 19n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054304
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(3-tetradecyl-isoxazo...)
Show SMILES CCCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C30H49N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-25-22-28(35-33-25)31-30(34)32-29-26(23(2)3)20-18-21-27(29)24(4)5/h18,20-24H,6-17,19H2,1-5H3,(H2,31,32,34)
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054277
PNG
(1-(3-Decyl-isoxazol-5-yl)-3-(2,6-diisopropyl-pheny...)
Show SMILES CCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C26H41N3O2/c1-6-7-8-9-10-11-12-13-15-21-18-24(31-29-21)27-26(30)28-25-22(19(2)3)16-14-17-23(25)20(4)5/h14,16-20H,6-13,15H2,1-5H3,(H2,27,28,30)
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054312
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-nonyl-2,3-dihydro-...)
Show SMILES CCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C23H40N6O/c1-6-7-8-9-10-11-12-16-29-27-22(26-28-29)25-23(30)24-21-19(17(2)3)14-13-15-20(21)18(4)5/h13-15,17-18,28H,6-12,16H2,1-5H3,(H3,24,25,26,27,30)
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054308
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[2-(11-hydroxy-undecy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1=NN(CCCCCCCCCCCO)NN1
Show InChI InChI=1S/C25H44N6O2/c1-19(2)21-15-14-16-22(20(3)4)23(21)26-25(33)27-24-28-30-31(29-24)17-12-10-8-6-5-7-9-11-13-18-32/h14-16,19-20,30,32H,5-13,17-18H2,1-4H3,(H3,26,27,28,29,33)
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n/an/a 32n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054289
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-imidazo...)
Show SMILES CCCCCCCCCCCCn1cnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)c1
Show InChI InChI=1S/C28H46N4O/c1-6-7-8-9-10-11-12-13-14-15-19-32-20-26(29-21-32)30-28(33)31-27-24(22(2)3)17-16-18-25(27)23(4)5/h16-18,20-23H,6-15,19H2,1-5H3,(H2,30,31,33)
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n/an/a 35n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054298
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-[1,3,4]th...)
Show SMILES CCCCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)s1
Show InChI InChI=1S/C28H46N4OS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25-31-32-28(34-25)30-27(33)29-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H2,29,30,32,33)
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054313
PNG
(1-(2,6-Diisopropyl-phenyl)-3-{2-[11-(tetrahydro-py...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nnn(CCCCCCCCCCCOC2CCCCO2)n1
Show InChI InChI=1S/C30H50N6O3/c1-23(2)25-17-16-18-26(24(3)4)28(25)31-30(37)32-29-33-35-36(34-29)20-13-10-8-6-5-7-9-11-14-21-38-27-19-12-15-22-39-27/h16-18,23-24,27H,5-15,19-22H2,1-4H3,(H2,31,32,34,37)
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054290
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-hexadecyl-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C30H54N6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-34-29(33-35-36)32-30(37)31-28-26(24(2)3)21-20-22-27(28)25(4)5/h20-22,24-25,35H,6-19,23H2,1-5H3,(H3,31,32,33,34,37)
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n/an/a 57n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054273
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-octyl-2,3-dihydro-...)
Show SMILES CCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C22H38N6O/c1-6-7-8-9-10-11-15-28-26-21(25-27-28)24-22(29)23-20-18(16(2)3)13-12-14-19(20)17(4)5/h12-14,16-17,27H,6-11,15H2,1-5H3,(H3,23,24,25,26,29)
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n/an/a 59n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054310
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[2-((E)-4,8-dimethyl-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1=NN(CC\C=C(/C)CCC=C(C)C)NN1
Show InChI InChI=1S/C25H40N6O/c1-17(2)11-8-12-20(7)13-10-16-31-29-24(28-30-31)27-25(32)26-23-21(18(3)4)14-9-15-22(23)19(5)6/h9,11,13-15,18-19,30H,8,10,12,16H2,1-7H3,(H3,26,27,28,29,32)/b20-13+
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n/an/a 63n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054283
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-dodecyl-oxazol-2-y...)
Show SMILES CCCCCCCCCCCCc1coc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C28H45N3O2/c1-6-7-8-9-10-11-12-13-14-15-17-23-20-33-28(29-23)31-27(32)30-26-24(21(2)3)18-16-19-25(26)22(4)5/h16,18-22H,6-15,17H2,1-5H3,(H2,29,30,31,32)
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n/an/a 63n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054301
PNG
(1-(2-Dodecyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,4,...)
Show SMILES CCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(OC)cc(OC)cc2OC)N1
Show InChI InChI=1S/C23H40N6O4/c1-5-6-7-8-9-10-11-12-13-14-15-29-27-22(26-28-29)25-23(30)24-21-19(32-3)16-18(31-2)17-20(21)33-4/h16-17,28H,5-15H2,1-4H3,(H3,24,25,26,27,30)
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n/an/a 66n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054306
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-hexyl-2,3-dihydro-...)
Show SMILES CCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C20H34N6O/c1-6-7-8-9-13-26-24-19(23-25-26)22-20(27)21-18-16(14(2)3)11-10-12-17(18)15(4)5/h10-12,14-15,25H,6-9,13H2,1-5H3,(H3,21,22,23,24,27)
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n/an/a 73n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054303
PNG
(1-(2-Butyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,6-di...)
Show SMILES CCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C18H30N6O/c1-6-7-11-24-22-17(21-23-24)20-18(25)19-16-14(12(2)3)9-8-10-15(16)13(4)5/h8-10,12-13,23H,6-7,11H2,1-5H3,(H3,19,20,21,22,25)
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n/an/a 92n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054285
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-[1,2,4]...)
Show SMILES CCCCCCCCCCCCn1cnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-20-28-26(31-32)30-27(33)29-25-23(21(2)3)17-16-18-24(25)22(4)5/h16-18,20-22H,6-15,19H2,1-5H3,(H2,29,30,31,33)
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n/an/a 120n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054292
PNG
(1-(5-Decyl-4-methyl-thiazol-2-yl)-3-(2,6-diisoprop...)
Show SMILES CCCCCCCCCCc1sc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)nc1C
Show InChI InChI=1S/C27H43N3OS/c1-7-8-9-10-11-12-13-14-18-24-21(6)28-27(32-24)30-26(31)29-25-22(19(2)3)16-15-17-23(25)20(4)5/h15-17,19-20H,7-14,18H2,1-6H3,(H2,28,29,30,31)
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n/an/a 120n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054286
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-nonyl-[1,3,4]thiad...)
Show SMILES CCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)s1
Show InChI InChI=1S/C24H38N4OS/c1-6-7-8-9-10-11-12-16-21-27-28-24(30-21)26-23(29)25-22-19(17(2)3)14-13-15-20(22)18(4)5/h13-15,17-18H,6-12,16H2,1-5H3,(H2,25,26,28,29)
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n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054296
PNG
(1-(2-Dodecyl-2,3-dihydro-1H-tetrazol-5-ylmethyl)-3...)
Show SMILES CCCCCCCCCCCCN1NN=C(CNC(=O)Nc2c(OC)cc(OC)cc2OC)N1
Show InChI InChI=1S/C24H42N6O4/c1-5-6-7-8-9-10-11-12-13-14-15-30-28-22(27-29-30)18-25-24(31)26-23-20(33-3)16-19(32-2)17-21(23)34-4/h16-17,29H,5-15,18H2,1-4H3,(H,27,28)(H2,25,26,31)
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n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054282
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-undecyl-thiazol-2-...)
Show SMILES CCCCCCCCCCCc1csc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H43N3OS/c1-6-7-8-9-10-11-12-13-14-16-22-19-32-27(28-22)30-26(31)29-25-23(20(2)3)17-15-18-24(25)21(4)5/h15,17-21H,6-14,16H2,1-5H3,(H2,28,29,30,31)
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n/an/a 150n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054295
PNG
(1-(1-Decyl-1H-tetrazol-5-yl)-3-(2,6-diisopropyl-ph...)
Show SMILES CCCCCCCCCCn1nnnc1NC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C24H40N6O/c1-6-7-8-9-10-11-12-13-17-30-23(27-28-29-30)26-24(31)25-22-20(18(2)3)15-14-16-21(22)19(4)5/h14-16,18-19H,6-13,17H2,1-5H3,(H2,25,26,27,29,31)
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n/an/a 180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054291
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-tetrazo...)
Show SMILES CCCCCCCCCCCCn1nnnc1NC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H44N6O/c1-6-7-8-9-10-11-12-13-14-15-19-32-25(29-30-31-32)28-26(33)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H2,27,28,29,31,33)
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n/an/a 210n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054307
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2H-[1,2,4]...)
Show SMILES CCCCCCCCCCCCn1ncnc1NC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-26(28-20-29-32)31-27(33)30-25-23(21(2)3)17-16-18-24(25)22(4)5/h16-18,20-22H,6-15,19H2,1-5H3,(H2,28,29,30,31,33)
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n/an/a 250n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054275
PNG
(1-(2-Benzyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,6-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NC1=NN(Cc2ccccc2)NN1
Show InChI InChI=1S/C21H28N6O/c1-14(2)17-11-8-12-18(15(3)4)19(17)22-21(28)23-20-24-26-27(25-20)13-16-9-6-5-7-10-16/h5-12,14-15,26H,13H2,1-4H3,(H3,22,23,24,25,28)
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n/an/a 370n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054276
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecylsulfanyl-4...)
Show SMILES CCCCCCCCCCCCCSc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)[nH]1
Show InChI InChI=1S/C28H47N5OS/c1-6-7-8-9-10-11-12-13-14-15-16-20-35-28-31-26(32-33-28)30-27(34)29-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H3,29,30,31,32,33,34)
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n/an/a 390n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054309
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-undecyl-[1,3,4]thi...)
Show SMILES CCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)s1
Show InChI InChI=1S/C26H42N4OS/c1-6-7-8-9-10-11-12-13-14-18-23-29-30-26(32-23)28-25(31)27-24-21(19(2)3)16-15-17-22(24)20(4)5/h15-17,19-20H,6-14,18H2,1-5H3,(H2,27,28,30,31)
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n/an/a 390n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054311
PNG
(1-(4-Acetyl-5-tridecylsulfanyl-4H-[1,2,4]triazol-3...)
Show SMILES CCCCCCCCCCCCCSc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)n1C(C)=O
Show InChI InChI=1S/C30H49N5O2S/c1-7-8-9-10-11-12-13-14-15-16-17-21-38-30-34-33-28(35(30)24(6)36)32-29(37)31-27-25(22(2)3)19-18-20-26(27)23(4)5/h18-20,22-23H,7-17,21H2,1-6H3,(H2,31,32,33,37)
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n/an/a 680n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054299
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-dodecyl-4H-[1,2,4]...)
Show SMILES CCCCCCCCCCCCn1cnnc1NC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-20-28-31-26(32)30-27(33)29-25-23(21(2)3)17-16-18-24(25)22(4)5/h16-18,20-22H,6-15,19H2,1-5H3,(H2,29,30,31,33)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054274
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[5-(tridecane-1-sulfi...)
Show SMILES CCCCCCCCCCCCCS(=O)c1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)[nH]1
Show InChI InChI=1S/C28H47N5O2S/c1-6-7-8-9-10-11-12-13-14-15-16-20-36(35)28-31-26(32-33-28)30-27(34)29-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H3,29,30,31,32,33,34)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054287
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-dodecyl-4H-[1,2,4]...)
Show SMILES CCCCCCCCCCCCc1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)[nH]1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-24-28-26(32-31-24)30-27(33)29-25-22(20(2)3)17-16-18-23(25)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H3,28,29,30,31,32,33)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054280
PNG
(11-{5-[3-(2,6-Diisopropyl-phenyl)-ureido]-1,3-dihy...)
Show SMILES COC(=O)CCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C26H44N6O3/c1-19(2)21-15-14-16-22(20(3)4)24(21)27-26(34)28-25-29-31-32(30-25)18-13-11-9-7-6-8-10-12-17-23(33)35-5/h14-16,19-20,31H,6-13,17-18H2,1-5H3,(H3,27,28,29,30,34)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054293
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[5-(tridecane-1-sulfo...)
Show SMILES CCCCCCCCCCCCCS(=O)(=O)c1nnc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)[nH]1
Show InChI InChI=1S/C28H47N5O3S/c1-6-7-8-9-10-11-12-13-14-15-16-20-37(35,36)28-31-26(32-33-28)30-27(34)29-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H3,29,30,31,32,33,34)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054314
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1H-tetrazol-5-yl)-ur...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C14H20N6O/c1-8(2)10-6-5-7-11(9(3)4)12(10)15-14(21)16-13-17-19-20-18-13/h5-9H,1-4H3,(H3,15,16,17,18,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%