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Compile Data Set for Download or QSAR

Found 1054 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase'   
Target
(Institution)
LigandTarget
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)
BDBM50289051
PNG
(CHEMBL160103 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCC[C@@H](C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H49NO3/c1-7-8-9-10-11-12-13-14-15-16-18-24(6)33-28(32)21-27(31)30-29-25(22(2)3)19-17-20-26(29)23(4)5/h17,19-20,22-24H,7-16,18,21H2,1-6H3,(H,30,31)/t24-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289025
PNG
(CHEMBL164479 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCC[C@H](C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H49NO3/c1-7-8-9-10-11-12-13-14-15-16-18-24(6)33-28(32)21-27(31)30-29-25(22(2)3)19-17-20-26(29)23(4)5/h17,19-20,22-24H,7-16,18,21H2,1-6H3,(H,30,31)/t24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289024
PNG
(CHEMBL422709 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO3/c1-7-8-9-10-11-12-13-14-16-22(6)31-26(30)19-25(29)28-27-23(20(2)3)17-15-18-24(27)21(4)5/h15,17-18,20-22H,7-14,16,19H2,1-6H3,(H,28,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50079715
PNG
(CHEMBL64237 | Tetradecanethioic acid (2,6-diisopro...)
Show SMILES CCCCCCCCCCCCCC(=S)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NS/c1-6-7-8-9-10-11-12-13-14-15-16-20-25(28)27-26-23(21(2)3)18-17-19-24(26)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,27,28)
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Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit intestine


Bioorg Med Chem Lett 9: 2039-42 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045906
PNG
(3-Oxo-hexadecanoic acid (2,6-diisopropyl-phenyl)-a...)
Show SMILES CCCCCCCCCCCCCC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24(30)21-27(31)29-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-20,22-23H,6-16,18,21H2,1-5H3,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50040815
PNG
(2-Methylsulfanyl-6,11-dihydro-dibenzo[b,e]oxepine-...)
Show SMILES CSc1ccc2OCc3ccccc3C(C(=O)Nc3c(cccc3C(C)C)C(C)C)c2c1
Show InChI InChI=1S/C28H31NO2S/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(30)26-23-10-7-6-9-19(23)16-31-25-14-13-20(32-5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,30)
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n/an/a 7n/an/an/an/an/an/a



Kyowa Hakko Kogyo Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits


J Med Chem 37: 804-10 (1994)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005955
PNG
(CHEMBL40608 | Octadec-9-enoic acid (2,6-diisopropy...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(32)31-30-27(25(2)3)22-21-23-28(30)26(4)5/h13-14,21-23,25-26H,6-12,15-20,24H2,1-5H3,(H,31,32)/b14-13+
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 35: 1609-17 (1992)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50069886
PNG
((2,6-Diisopropyl-phenylcarbamoyl)-methanesulfonic ...)
Show SMILES CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C
Show InChI InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)29(26(15-22)21(9)10)34-35(32,33)16-27(31)30-28-23(18(3)4)12-11-13-24(28)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.


Bioorg Med Chem Lett 8: 289-94 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50069883
PNG
((2,6-Diisopropyl-phenylcarbamoyl)-methanesulfonic ...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H37NO4S/c1-16(2)20-11-9-12-21(17(3)4)25(20)27-24(28)15-32(29,30)31-26-22(18(5)6)13-10-14-23(26)19(7)8/h9-14,16-19H,15H2,1-8H3,(H,27,28)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.


Bioorg Med Chem Lett 8: 289-94 (1999)

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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50039427
PNG
(+/-(1-Methyl-Tridecyl)Thiocarbonyl-carbamic acid 2...)
Show SMILES CCCCCCCCCCCCC(C)SC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO3S/c1-7-8-9-10-11-12-13-14-15-16-18-23(6)33-28(31)29-27(30)32-26-24(21(2)3)19-17-20-25(26)22(4)5/h17,19-23H,7-16,18H2,1-6H3,(H,29,30,31)
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...


J Med Chem 37: 2394-400 (1994)

More data for this
Ligand-Target Pair
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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281484
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-undecyl-phenyl)-ur...)
Show SMILES CCCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C30H46N2O/c1-6-7-8-9-10-11-12-13-14-16-25-19-21-26(22-20-25)31-30(33)32-29-27(23(2)3)17-15-18-28(29)24(4)5/h15,17-24H,6-14,16H2,1-5H3,(H2,31,32,33)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281487
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-nonyl-phenyl)-urea...)
Show SMILES CCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C28H42N2O/c1-6-7-8-9-10-11-12-14-23-17-19-24(20-18-23)29-28(31)30-27-25(21(2)3)15-13-16-26(27)22(4)5/h13,15-22H,6-12,14H2,1-5H3,(H2,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50039428
PNG
(CHEMBL77339 | Tridecyloxycarbonyl-carbamic acid 2,...)
Show SMILES CCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-20-31-26(29)28-27(30)32-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,28,29,30)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...


J Med Chem 37: 2394-400 (1994)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50067769
PNG
(1-Benzyl-1-[4-(4-fluoro-phenoxy)-benzyl]-3-(6-meth...)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H28FN3O2S2/c1-20-17-26(36-2)27(28(31-20)37-3)32-29(34)33(18-21-7-5-4-6-8-21)19-22-9-13-24(14-10-22)35-25-15-11-23(30)12-16-25/h4-17H,18-19H2,1-3H3,(H,32,34)
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n/an/a 9.10n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50067756
PNG
(1-Benzyl-1-[4-(4-bromo-phenoxy)-benzyl]-3-(6-methy...)
Show SMILES CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(Oc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C29H28BrN3O2S2/c1-20-17-26(36-2)27(28(31-20)37-3)32-29(34)33(18-21-7-5-4-6-8-21)19-22-9-13-24(14-10-22)35-25-15-11-23(30)12-16-25/h4-17H,18-19H2,1-3H3,(H,32,34)
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50039402
PNG
(CHEMBL80332 | Tetradecyloxycarbonyl-carbamic acid ...)
Show SMILES CCCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27(30)29-28(31)33-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23H,6-17,21H2,1-5H3,(H,29,30,31)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...


J Med Chem 37: 2394-400 (1994)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50284967
PNG
(1-[1-(2,6-Dichloro-phenyl)-1H-benzoimidazol-2-yl]-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H26Cl2N4O/c1-15(2)17-9-7-10-18(16(3)4)23(17)30-26(33)31-25-29-21-13-5-6-14-22(21)32(25)24-19(27)11-8-12-20(24)28/h5-16H,1-4H3,(H2,29,30,31,33)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281483
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-octyl-phenyl)-urea...)
Show SMILES CCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C27H40N2O/c1-6-7-8-9-10-11-13-22-16-18-23(19-17-22)28-27(30)29-26-24(20(2)3)14-12-15-25(26)21(4)5/h12,14-21H,6-11,13H2,1-5H3,(H2,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281490
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-tridecyl-phenyl)-u...)
Show SMILES CCCCCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C32H50N2O/c1-6-7-8-9-10-11-12-13-14-15-16-18-27-21-23-28(24-22-27)33-32(35)34-31-29(25(2)3)19-17-20-30(31)26(4)5/h17,19-26H,6-16,18H2,1-5H3,(H2,33,34,35)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289048
PNG
(CHEMBL164205 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCOC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-15-19-31-26(30)20-25(29)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,28,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289042
PNG
(CHEMBL162996 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C31H53NO3/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-26(6)35-30(34)23-29(33)32-31-27(24(2)3)21-19-22-28(31)25(4)5/h19,21-22,24-26H,7-18,20,23H2,1-6H3,(H,32,33)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045911
PNG
(3-Oxo-pentadecanoic acid (2,6-diisopropyl-phenyl)-...)
Show SMILES CCCCCCCCCCCCC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO2/c1-6-7-8-9-10-11-12-13-14-15-17-23(29)20-26(30)28-27-24(21(2)3)18-16-19-25(27)22(4)5/h16,18-19,21-22H,6-15,17,20H2,1-5H3,(H,28,30)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)

More data for this
Ligand-Target Pair
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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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)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045915
PNG
(CHEMBL316724 | N-(2,6-Diisopropyl-phenyl)-3-oxo-3-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33NO2/c1-18(2)21-13-10-14-22(19(3)4)25(21)27-24(29)17-23(28)26(15-8-9-16-26)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H,27,29)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50042104
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-thiophen-2-yl-cycl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccs1
Show InChI InChI=1S/C23H32N2OS/c1-16(2)18-9-7-10-19(17(3)4)21(18)25-22(26)24-15-23(12-5-6-13-23)20-11-8-14-27-20/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H2,24,25,26)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase using intestinal microsomes isolated from cholesterol fed rabbits


J Med Chem 36: 3300-7 (1993)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047595
PNG
(1-Butyl-3-{2-[3-(5-isopropyl-4-phenyl-imidazol-1-y...)
Show SMILES CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C27H36N4O2/c1-5-6-16-28-27(32)30-24-21(4)12-10-15-23(24)33-18-11-17-31-19-29-25(26(31)20(2)3)22-13-8-7-9-14-22/h7-10,12-15,19-20H,5-6,11,16-18H2,1-4H3,(H2,28,30,32)
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Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabbit aorta homogenate


J Med Chem 36: 1641-53 (1993)

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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50067746
PNG
(3-(4-Chloro-6-methyl-2-methylsulfanyl-pyridin-3-yl...)
Show SMILES CSc1nc(C)cc(Cl)c1NC(=O)N(Cc1ccc(Oc2ccc(F)cc2)cc1)C1CCCCCC1
Show InChI InChI=1S/C28H31ClFN3O2S/c1-19-17-25(29)26(27(31-19)36-2)32-28(34)33(22-7-5-3-4-6-8-22)18-20-9-13-23(14-10-20)35-24-15-11-21(30)12-16-24/h9-17,22H,3-8,18H2,1-2H3,(H,32,34)
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289039
PNG
(CHEMBL163293 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO3/c1-8-9-10-11-12-13-14-15-16-17-21-30(6,7)34-28(33)22-27(32)31-29-25(23(2)3)19-18-20-26(29)24(4)5/h18-20,23-24H,8-17,21-22H2,1-7H3,(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289050
PNG
(CHEMBL159666 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C25H41NO3/c1-7-8-9-10-11-12-14-20(6)29-24(28)17-23(27)26-25-21(18(2)3)15-13-16-22(25)19(4)5/h13,15-16,18-20H,7-12,14,17H2,1-6H3,(H,26,27)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50454946
PNG
(CHEMBL79602)
Show SMILES CN(C)c1ccc(CN(Cc2cccc(c2)-c2cc[nH]n2)C(=O)Nc2c(F)cc(F)cc2F)cc1
Show InChI InChI=1S/C26H24F3N5O/c1-33(2)21-8-6-17(7-9-21)15-34(26(35)31-25-22(28)13-20(27)14-23(25)29)16-18-4-3-5-19(12-18)24-10-11-30-32-24/h3-14H,15-16H2,1-2H3,(H,30,32)(H,31,35)
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TBA

Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes


Citation and Details
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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50050362
PNG
(2,2-Dimethyl-dodecanoic acid (7-methoxy-4-oxo-chro...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)ccc2C(=O)CCOc12
Show InChI InChI=1S/C24H37NO4/c1-5-6-7-8-9-10-11-12-16-24(2,3)23(27)25-21-20(28-4)14-13-18-19(26)15-17-29-22(18)21/h13-14H,5-12,15-17H2,1-4H3,(H,25,27)
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Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rabbit intestine microsomes


Citation and Details
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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281496
PNG
(1-(4-Decyl-phenyl)-3-(2,6-diisopropyl-phenyl)-urea...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C29H44N2O/c1-6-7-8-9-10-11-12-13-15-24-18-20-25(21-19-24)30-29(32)31-28-26(22(2)3)16-14-17-27(28)23(4)5/h14,16-23H,6-13,15H2,1-5H3,(H2,30,31,32)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50296994
PNG
(CHEMBL561939 | N-(5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C24H41N3O3S/c1-8-9-10-11-12-13-15-27-16-14-19-17(2)20(26-31(7,29)30)18(3)21(22(19)27)25-23(28)24(4,5)6/h26H,8-16H2,1-7H3,(H,25,28)
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Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes


Citation and Details
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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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)

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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
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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Warner-Lambert Company

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50065041
PNG
(1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...)
Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1
Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)
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n/an/a 14n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50067753
PNG
(1-Cycloheptyl-3-(2,4-dichloro-6-methyl-pyridin-3-y...)
Show SMILES Cc1cc(Cl)c(NC(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C2CCCCCC2)c(Cl)n1
Show InChI InChI=1S/C27H28Cl2FN3O2/c1-18-16-24(28)25(26(29)31-18)32-27(34)33(21-6-4-2-3-5-7-21)17-19-8-12-22(13-9-19)35-23-14-10-20(30)11-15-23/h8-16,21H,2-7,17H2,1H3,(H,32,34)
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n/an/a 14n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50065041
PNG
(1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...)
Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1
Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)
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n/an/a 14n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards ACAT by the displacement of [1-14C]-oleolyl-CoA from the small intestine of cholesterol-fed rabbits


Bioorg Med Chem Lett 8: 81-6 (1999)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50065041
PNG
(1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...)
Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1
Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005994
PNG
(CHEMBL42998 | Octadec-9-enoic acid (2-ethoxy-6-met...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(C)cccc1OCC
Show InChI InChI=1S/C27H45NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(29)28-27-24(3)21-20-22-25(27)30-5-2/h12-13,20-22H,4-11,14-19,23H2,1-3H3,(H,28,29)/b13-12+
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 35: 1609-17 (1992)

More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281494
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-dodecyl-phenyl)-ur...)
Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C31H48N2O/c1-6-7-8-9-10-11-12-13-14-15-17-26-20-22-27(23-21-26)32-31(34)33-30-28(24(2)3)18-16-19-29(30)25(4)5/h16,18-25H,6-15,17H2,1-5H3,(H2,32,33,34)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289036
PNG
(CHEMBL163325 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCC(C)(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C22H35NO3/c1-8-9-13-22(6,7)26-20(25)14-19(24)23-21-17(15(2)3)11-10-12-18(21)16(4)5/h10-12,15-16H,8-9,13-14H2,1-7H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Citation and Details
More data for this
Ligand-Target Pair
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