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PubMed code 8201599

Compile data set for download or QSAR
Found 51 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)
BDBM50041733
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-morpholin-4-ylm...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H43N3O2/c1-22(2)26-11-8-12-27(23(3)4)28(26)32-29(34)31-21-30(13-5-6-14-30)25-10-7-9-24(19-25)20-33-15-17-35-18-16-33/h7-12,19,22-23H,5-6,13-18,20-21H2,1-4H3,(H2,31,32,34)
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041764
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-methoxy-phenyl)...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-12-9-13-23(19(3)4)24(22)28-25(29)27-17-26(14-6-7-15-26)20-10-8-11-21(16-20)30-5/h8-13,16,18-19H,6-7,14-15,17H2,1-5H3,(H2,27,28,29)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041770
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-m-tolyl-cyclopenty...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(C)c1
Show InChI InChI=1S/C26H36N2O/c1-18(2)22-12-9-13-23(19(3)4)24(22)28-25(29)27-17-26(14-6-7-15-26)21-11-8-10-20(5)16-21/h8-13,16,18-19H,6-7,14-15,17H2,1-5H3,(H2,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041738
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-hydroxymethyl-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CO)c1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-11-8-12-23(19(3)4)24(22)28-25(30)27-17-26(13-5-6-14-26)21-10-7-9-20(15-21)16-29/h7-12,15,18-19,29H,5-6,13-14,16-17H2,1-4H3,(H2,27,28,30)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041729
PNG
(1-[1-(3-Dibutylaminomethyl-phenyl)-cyclopentylmeth...)
Show SMILES CCCCN(CCCC)Cc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C34H53N3O/c1-7-9-21-37(22-10-8-2)24-28-15-13-16-29(23-28)34(19-11-12-20-34)25-35-33(38)36-32-30(26(3)4)17-14-18-31(32)27(5)6/h13-18,23,26-27H,7-12,19-22,24-25H2,1-6H3,(H2,35,36,38)
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041749
PNG
(1-(2,6-Diisopropyl-phenyl)-3-{1-[3-(4-methyl-piper...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN2CCN(C)CC2)c1
Show InChI InChI=1S/C31H46N4O/c1-23(2)27-12-9-13-28(24(3)4)29(27)33-30(36)32-22-31(14-6-7-15-31)26-11-8-10-25(20-26)21-35-18-16-34(5)17-19-35/h8-13,20,23-24H,6-7,14-19,21-22H2,1-5H3,(H2,32,33,36)
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50038526
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-phenyl-cyclopentyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1
Show InChI InChI=1S/C25H34N2O/c1-18(2)21-13-10-14-22(19(3)4)23(21)27-24(28)26-17-25(15-8-9-16-25)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H2,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041771
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-o-tolyl-cyclopenty...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1C
Show InChI InChI=1S/C26H36N2O/c1-18(2)21-12-10-13-22(19(3)4)24(21)28-25(29)27-17-26(15-8-9-16-26)23-14-7-6-11-20(23)5/h6-7,10-14,18-19H,8-9,15-17H2,1-5H3,(H2,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041767
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2-trifluoromethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O/c1-17(2)19-10-9-11-20(18(3)4)23(19)31-24(32)30-16-25(14-7-8-15-25)21-12-5-6-13-22(21)26(27,28)29/h5-6,9-13,17-18H,7-8,14-16H2,1-4H3,(H2,30,31,32)
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n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041736
PNG
(1-(1-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-cycl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(CCO)CCO
Show InChI InChI=1S/C29H43N3O3/c1-21(2)25-8-7-9-26(22(3)4)27(25)31-28(35)30-20-29(14-5-6-15-29)23-10-12-24(13-11-23)32(16-18-33)17-19-34/h7-13,21-22,33-34H,5-6,14-20H2,1-4H3,(H2,30,31,35)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041761
PNG
(1-[1-(3-Amino-phenyl)-cyclopentylmethyl]-3-(2,6-di...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(N)c1
Show InChI InChI=1S/C25H35N3O/c1-17(2)21-11-8-12-22(18(3)4)23(21)28-24(29)27-16-25(13-5-6-14-25)19-9-7-10-20(26)15-19/h7-12,15,17-18H,5-6,13-14,16,26H2,1-4H3,(H2,27,28,29)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041737
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-fluoro-phenyl)-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FN2O/c1-17(2)21-8-7-9-22(18(3)4)23(21)28-24(29)27-16-25(14-5-6-15-25)19-10-12-20(26)13-11-19/h7-13,17-18H,5-6,14-16H2,1-4H3,(H2,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041752
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)20-11-10-12-21(19(3)4)24(20)28-25(29)27-17-26(15-8-9-16-26)22-13-6-7-14-23(22)30-5/h6-7,10-14,18-19H,8-9,15-17H2,1-5H3,(H2,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041744
PNG
(1-[1-(3-Cyanomethyl-phenyl)-cyclopentylmethyl]-3-(...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CC#N)c1
Show InChI InChI=1S/C27H35N3O/c1-19(2)23-11-8-12-24(20(3)4)25(23)30-26(31)29-18-27(14-5-6-15-27)22-10-7-9-21(17-22)13-16-28/h7-12,17,19-20H,5-6,13-15,18H2,1-4H3,(H2,29,30,31)
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041745
PNG
(1-(2,6-Diisopropyl-phenyl)-3-{1-[4-(2-hydroxy-ethy...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(NCCO)cc1
Show InChI InChI=1S/C27H39N3O2/c1-19(2)23-8-7-9-24(20(3)4)25(23)30-26(32)29-18-27(14-5-6-15-27)21-10-12-22(13-11-21)28-16-17-31/h7-13,19-20,28,31H,5-6,14-18H2,1-4H3,(H2,29,30,32)
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041743
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-p-tolyl-cyclopenty...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(C)cc1
Show InChI InChI=1S/C26H36N2O/c1-18(2)22-9-8-10-23(19(3)4)24(22)28-25(29)27-17-26(15-6-7-16-26)21-13-11-20(5)12-14-21/h8-14,18-19H,6-7,15-17H2,1-5H3,(H2,27,28,29)
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041758
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-hydroxymethyl-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(CO)cc1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-8-7-9-23(19(3)4)24(22)28-25(30)27-17-26(14-5-6-15-26)21-12-10-20(16-29)11-13-21/h7-13,18-19,29H,5-6,14-17H2,1-4H3,(H2,27,28,30)
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041722
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2-nitro-phenyl)-c...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C25H33N3O3/c1-17(2)19-10-9-11-20(18(3)4)23(19)27-24(29)26-16-25(14-7-8-15-25)21-12-5-6-13-22(21)28(30)31/h5-6,9-13,17-18H,7-8,14-16H2,1-4H3,(H2,26,27,29)
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041741
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-trifluoromethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O/c1-17(2)21-11-8-12-22(18(3)4)23(21)31-24(32)30-16-25(13-5-6-14-25)19-9-7-10-20(15-19)26(27,28)29/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H2,30,31,32)
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n/an/a 27n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041739
PNG
(1-[1-(4-Bromo-phenyl)-cyclopentylmethyl]-3-(2,6-di...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN2O/c1-17(2)21-8-7-9-22(18(3)4)23(21)28-24(29)27-16-25(14-5-6-15-25)19-10-12-20(26)13-11-19/h7-13,17-18H,5-6,14-16H2,1-4H3,(H2,27,28,29)
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041725
PNG
(1-[1-(4-Amino-phenyl)-cyclopentylmethyl]-3-(2,6-di...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C25H35N3O/c1-17(2)21-8-7-9-22(18(3)4)23(21)28-24(29)27-16-25(14-5-6-15-25)19-10-12-20(26)13-11-19/h7-13,17-18H,5-6,14-16,26H2,1-4H3,(H2,27,28,29)
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n/an/a 29n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041748
PNG
(1-[1-(3-Benzyloxy-phenyl)-cyclopentylmethyl]-3-(2,...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C32H40N2O2/c1-23(2)28-16-11-17-29(24(3)4)30(28)34-31(35)33-22-32(18-8-9-19-32)26-14-10-15-27(20-26)36-21-25-12-6-5-7-13-25/h5-7,10-17,20,23-24H,8-9,18-19,21-22H2,1-4H3,(H2,33,34,35)
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n/an/a 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041723
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-9-8-10-23(19(3)4)24(22)28-25(29)27-17-26(15-6-7-16-26)20-11-13-21(30-5)14-12-20/h8-14,18-19H,6-7,15-17H2,1-5H3,(H2,27,28,29)
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041759
PNG
(1-[1-(4-Chloro-phenyl)-cyclopentylmethyl]-3-(2,6-d...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H33ClN2O/c1-17(2)21-8-7-9-22(18(3)4)23(21)28-24(29)27-16-25(14-5-6-15-25)19-10-12-20(26)13-11-19/h7-13,17-18H,5-6,14-16H2,1-4H3,(H2,27,28,29)
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n/an/a 32n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041734
PNG
(Acetic acid 2-[(2-acetoxy-ethyl)-(3-{1-[3-(2,6-dii...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN(CCOC(C)=O)CCOC(C)=O)c1
Show InChI InChI=1S/C34H49N3O5/c1-24(2)30-13-10-14-31(25(3)4)32(30)36-33(40)35-23-34(15-7-8-16-34)29-12-9-11-28(21-29)22-37(17-19-41-26(5)38)18-20-42-27(6)39/h9-14,21,24-25H,7-8,15-20,22-23H2,1-6H3,(H2,35,36,40)
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041731
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-dimethylamino-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(c1)N(C)C
Show InChI InChI=1S/C27H39N3O/c1-19(2)23-13-10-14-24(20(3)4)25(23)29-26(31)28-18-27(15-7-8-16-27)21-11-9-12-22(17-21)30(5)6/h9-14,17,19-20H,7-8,15-16,18H2,1-6H3,(H2,28,29,31)
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041742
PNG
(1-[1-(4-Benzyloxy-phenyl)-cyclopentylmethyl]-3-(2,...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-23(2)28-13-10-14-29(24(3)4)30(28)34-31(35)33-22-32(19-8-9-20-32)26-15-17-27(18-16-26)36-21-25-11-6-5-7-12-25/h5-7,10-18,23-24H,8-9,19-22H2,1-4H3,(H2,33,34,35)
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n/an/a 34n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041757
PNG
(3-{1-[3-(2,6-Diisopropyl-phenyl)-ureidomethyl]-cyc...)
Show SMILES COC(=O)c1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C27H36N2O3/c1-18(2)22-12-9-13-23(19(3)4)24(22)29-26(31)28-17-27(14-6-7-15-27)21-11-8-10-20(16-21)25(30)32-5/h8-13,16,18-19H,6-7,14-15,17H2,1-5H3,(H2,28,29,31)
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n/an/a 34n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041735
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041746
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2,5-dimethyl-phen...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cc(C)ccc1C
Show InChI InChI=1S/C27H38N2O/c1-18(2)22-10-9-11-23(19(3)4)25(22)29-26(30)28-17-27(14-7-8-15-27)24-16-20(5)12-13-21(24)6/h9-13,16,18-19H,7-8,14-15,17H2,1-6H3,(H2,28,29,30)
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n/an/a 39n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041753
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-hydroxy-phenyl)...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(O)cc1
Show InChI InChI=1S/C25H34N2O2/c1-17(2)21-8-7-9-22(18(3)4)23(21)27-24(29)26-16-25(14-5-6-15-25)19-10-12-20(28)13-11-19/h7-13,17-18,28H,5-6,14-16H2,1-4H3,(H2,26,27,29)
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n/an/a 42n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041740
PNG
(1-[1-(3-Bromomethyl-phenyl)-cyclopentylmethyl]-3-(...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CBr)c1
Show InChI InChI=1S/C26H35BrN2O/c1-18(2)22-11-8-12-23(19(3)4)24(22)29-25(30)28-17-26(13-5-6-14-26)21-10-7-9-20(15-21)16-27/h7-12,15,18-19H,5-6,13-14,16-17H2,1-4H3,(H2,28,29,30)
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n/an/a 44n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041732
PNG
(1-[1-(3-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phe...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN(CCO)CCO)c1
Show InChI InChI=1S/C30H45N3O3/c1-22(2)26-11-8-12-27(23(3)4)28(26)32-29(36)31-21-30(13-5-6-14-30)25-10-7-9-24(19-25)20-33(15-17-34)16-18-35/h7-12,19,22-23,34-35H,5-6,13-18,20-21H2,1-4H3,(H2,31,32,36)
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n/an/a 47n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041726
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-isopropyl-pheny...)
Show SMILES CC(C)c1ccc(cc1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C28H40N2O/c1-19(2)22-12-14-23(15-13-22)28(16-7-8-17-28)18-29-27(31)30-26-24(20(3)4)10-9-11-25(26)21(5)6/h9-15,19-21H,7-8,16-18H2,1-6H3,(H2,29,30,31)
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n/an/a 48n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041755
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2,4-dimethyl-phen...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(C)cc1C
Show InChI InChI=1S/C27H38N2O/c1-18(2)22-10-9-11-23(19(3)4)25(22)29-26(30)28-17-27(14-7-8-15-27)24-13-12-20(5)16-21(24)6/h9-13,16,18-19H,7-8,14-15,17H2,1-6H3,(H2,28,29,30)
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n/an/a 50n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041760
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-2...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1C(F)(F)F)N(C)C
Show InChI InChI=1S/C28H38F3N3O/c1-18(2)21-10-9-11-22(19(3)4)25(21)33-26(35)32-17-27(14-7-8-15-27)23-13-12-20(34(5)6)16-24(23)28(29,30)31/h9-13,16,18-19H,7-8,14-15,17H2,1-6H3,(H2,32,33,35)
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n/an/a 50n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041756
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-nitro-phenyl)-c...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H33N3O3/c1-17(2)21-11-8-12-22(18(3)4)23(21)27-24(29)26-16-25(13-5-6-14-25)19-9-7-10-20(15-19)28(30)31/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H2,26,27,29)
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n/an/a 51n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041735
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-dimethylamino-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
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n/an/a 52n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041727
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(2,4,6-trimethyl-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C28H40N2O/c1-18(2)23-11-10-12-24(19(3)4)26(23)30-27(31)29-17-28(13-8-9-14-28)25-21(6)15-20(5)16-22(25)7/h10-12,15-16,18-19H,8-9,13-14,17H2,1-7H3,(H2,29,30,31)
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n/an/a 56n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041730
PNG
(1-[1-(3,5-Bis-trifluoromethyl-phenyl)-cyclopentylm...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H32F6N2O/c1-16(2)21-8-7-9-22(17(3)4)23(21)35-24(36)34-15-25(10-5-6-11-25)18-12-19(26(28,29)30)14-20(13-18)27(31,32)33/h7-9,12-14,16-17H,5-6,10-11,15H2,1-4H3,(H2,34,35,36)
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n/an/a 57n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041765
PNG
(1-[1-(4-tert-Butyl-phenyl)-cyclopentylmethyl]-3-(2...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H42N2O/c1-20(2)24-11-10-12-25(21(3)4)26(24)31-27(32)30-19-29(17-8-9-18-29)23-15-13-22(14-16-23)28(5,6)7/h10-16,20-21H,8-9,17-19H2,1-7H3,(H2,30,31,32)
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n/an/a 63n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041724
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-dimethylaminome...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN(C)C)c1
Show InChI InChI=1S/C28H41N3O/c1-20(2)24-13-10-14-25(21(3)4)26(24)30-27(32)29-19-28(15-7-8-16-28)23-12-9-11-22(17-23)18-31(5)6/h9-14,17,20-21H,7-8,15-16,18-19H2,1-6H3,(H2,29,30,32)
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n/an/a 63n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041769
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-trifluoromethyl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H33F3N2O/c1-17(2)21-8-7-9-22(18(3)4)23(21)31-24(32)30-16-25(14-5-6-15-25)19-10-12-20(13-11-19)26(27,28)29/h7-13,17-18H,5-6,14-16H2,1-4H3,(H2,30,31,32)
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n/an/a 66n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041724
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-dimethylaminome...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN(C)C)c1
Show InChI InChI=1S/C28H41N3O/c1-20(2)24-13-10-14-25(21(3)4)26(24)30-27(32)29-19-28(15-7-8-16-28)23-12-9-11-22(17-23)18-31(5)6/h9-14,17,20-21H,7-8,15-16,18-19H2,1-6H3,(H2,29,30,32)
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n/an/a 67n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041768
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(4-nitro-phenyl)-c...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H33N3O3/c1-17(2)21-8-7-9-22(18(3)4)23(21)27-24(29)26-16-25(14-5-6-15-25)19-10-12-20(13-11-19)28(30)31/h7-13,17-18H,5-6,14-16H2,1-4H3,(H2,26,27,29)
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n/an/a 131n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041751
PNG
(1-[1-(2-Amino-phenyl)-cyclopentylmethyl]-3-(2,6-di...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccccc1N
Show InChI InChI=1S/C25H35N3O/c1-17(2)19-10-9-11-20(18(3)4)23(19)28-24(29)27-16-25(14-7-8-15-25)21-12-5-6-13-22(21)26/h5-6,9-13,17-18H,7-8,14-16,26H2,1-4H3,(H2,27,28,29)
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n/an/a 140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041766
PNG
(1-(2,6-Diisopropyl-phenyl)-3-{1-[4-(2,2-dimethyl-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(CC(C)(C)C)cc1
Show InChI InChI=1S/C30H44N2O/c1-21(2)25-11-10-12-26(22(3)4)27(25)32-28(33)31-20-30(17-8-9-18-30)24-15-13-23(14-16-24)19-29(5,6)7/h10-16,21-22H,8-9,17-20H2,1-7H3,(H2,31,32,33)
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n/an/a 159n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041750
PNG
(4-{1-[3-(2,6-Diisopropyl-phenyl)-ureidomethyl]-cyc...)
Show SMILES COC(=O)c1ccc(cc1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C27H36N2O3/c1-18(2)22-9-8-10-23(19(3)4)24(22)29-26(31)28-17-27(15-6-7-16-27)21-13-11-20(12-14-21)25(30)32-5/h8-14,18-19H,6-7,15-17H2,1-5H3,(H2,28,29,31)
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n/an/a 360n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041754
PNG
(1-[1-(3-Aminomethyl-phenyl)-cyclopentylmethyl]-3-(...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN)c1
Show InChI InChI=1S/C26H37N3O/c1-18(2)22-11-8-12-23(19(3)4)24(22)29-25(30)28-17-26(13-5-6-14-26)21-10-7-9-20(15-21)16-27/h7-12,15,18-19H,5-6,13-14,16-17,27H2,1-4H3,(H2,28,29,30)
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n/an/a 440n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041728
PNG
(3-{1-[3-(2,6-Diisopropyl-phenyl)-ureidomethyl]-cyc...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H34N2O3/c1-17(2)21-11-8-12-22(18(3)4)23(21)28-25(31)27-16-26(13-5-6-14-26)20-10-7-9-19(15-20)24(29)30/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,29,30)(H2,27,28,31)
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n/an/a 620n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041762
PNG
(4-{1-[3-(2,6-Diisopropyl-phenyl)-ureidomethyl]-cyc...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O3/c1-17(2)21-8-7-9-22(18(3)4)23(21)28-25(31)27-16-26(14-5-6-15-26)20-12-10-19(11-13-20)24(29)30/h7-13,17-18H,5-6,14-16H2,1-4H3,(H,29,30)(H2,27,28,31)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%