Compile Data Set for Download or QSAR

Found 972 hits with Last Name = 'krause' and Initial = 'br'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289025 (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	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289051 (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	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051461 (CHEMBL264861 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...) Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1 Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051466 (CHEMBL175982 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...) Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1 Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-25-29-31-32(30-25)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289024 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50045906 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27943RH
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50006409 (CHEMBL2367478 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C25H27FN2O4.Na/c1-16(2)24-22(13-12-20(29)14-21(30)15-23(31)32)25(17-8-10-18(26)11-9-17)28(27-24)19-6-4-3-5-7-19;/h3-13,16,20-21,29-30H,14-15H2,1-2H3,(H,31,32);/q;+1/p-1/b13-12+;/t20-,21-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50006407 (CHEMBL2367472 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1cnccn1 Show InChI InChI=1S/C23H25FN4O4.Na/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20;/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32);/q;+1/p-1/b8-7+;/t17-,18-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50069883 ((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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DN446R
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50006407 (CHEMBL2367472 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1cnccn1 Show InChI InChI=1S/C23H25FN4O4.Na/c1-14(2)22-19(8-7-17(29)11-18(30)12-21(31)32)23(15-3-5-16(24)6-4-15)28(27-22)20-13-25-9-10-26-20;/h3-10,13-14,17-18,29-30H,11-12H2,1-2H3,(H,31,32);/q;+1/p-1/b8-7+;/t17-,18-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50069886 ((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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2DN446R
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50005955 (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+	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2G44QXN
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063243 (CHEMBL161499 | N-(2,6-Diisopropyl-phenyl)-2-pyridi...) Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccn1 Show InChI InChI=1S/C32H48N2O3/c1-6-7-8-9-10-11-12-13-14-17-23-37-32(36)29(28-21-15-16-22-33-28)31(35)34-30-26(24(2)3)19-18-20-27(30)25(4)5/h15-16,18-22,24-25,29H,6-14,17,23H2,1-5H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50051460 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rabbit intestine				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50039427 (+/-(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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2XK8G5X
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50039428 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2XK8G5X
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054305 (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 |t:13| 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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50281487 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.				Bioorg Med Chem Lett 3: 259-262 (1993) Article DOI: 10.1016/S0960-894X(01)80888-X BindingDB Entry DOI: 10.7270/Q2N58M9R
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50281484 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.				Bioorg Med Chem Lett 3: 259-262 (1993) Article DOI: 10.1016/S0960-894X(01)80888-X BindingDB Entry DOI: 10.7270/Q2N58M9R
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054300 (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 |t:15| 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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051456 (CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...) Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM50063239 (CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C33H49NO3/c1-6-7-8-9-10-11-12-13-14-18-24-37-33(36)30(27-20-16-15-17-21-27)32(35)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acyl coenzyme A:cholesterol acyltransferase by microsomal LAI assay				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50039402 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2XK8G5X
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063239 (CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C33H49NO3/c1-6-7-8-9-10-11-12-13-14-18-24-37-33(36)30(27-20-16-15-17-21-27)32(35)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063226 (CHEMBL160149 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCC(C)(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C28H39NO3/c1-8-9-18-28(6,7)32-27(31)24(21-14-11-10-12-15-21)26(30)29-25-22(19(2)3)16-13-17-23(25)20(4)5/h10-17,19-20,24H,8-9,18H2,1-7H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50045915 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27943RH
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50045911 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q27943RH
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289042 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50281483 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.				Bioorg Med Chem Lett 3: 259-262 (1993) Article DOI: 10.1016/S0960-894X(01)80888-X BindingDB Entry DOI: 10.7270/Q2N58M9R
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50281490 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.				Bioorg Med Chem Lett 3: 259-262 (1993) Article DOI: 10.1016/S0960-894X(01)80888-X BindingDB Entry DOI: 10.7270/Q2N58M9R
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289048 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50041733 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2WQ04DZ
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063231 (CHEMBL159621 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C36H55NO3/c1-8-9-10-11-12-13-14-15-16-20-26-36(6,7)40-35(39)32(29-22-18-17-19-23-29)34(38)37-33-30(27(2)3)24-21-25-31(33)28(4)5/h17-19,21-25,27-28,32H,8-16,20,26H2,1-7H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063236 (CHEMBL159871 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C30H43NO3/c1-6-7-8-9-10-11-15-21-34-30(33)27(24-17-13-12-14-18-24)29(32)31-28-25(22(2)3)19-16-20-26(28)23(4)5/h12-14,16-20,22-23,27H,6-11,15,21H2,1-5H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50042104 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
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) BindingDB Entry DOI: 10.7270/Q2M044GN
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50289050 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054279 (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 |t:14| 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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50289039 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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)...				Bioorg Med Chem Lett 6: 713-718 (1996) Article DOI: 10.1016/0960-894X(96)00098-4 BindingDB Entry DOI: 10.7270/Q2DV1JV5
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054288 (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 |t:16| 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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051474 (CHEMBL78038 | N-(4,6-Dimethoxy-pyrimidin-5-yl)-2-(...) Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)ncnc1OC)c1ccccc1 Show InChI InChI=1S/C27H39N7O3/c1-4-5-6-7-8-9-10-11-12-16-19-34-32-24(31-33-34)22(21-17-14-13-15-18-21)25(35)30-23-26(36-2)28-20-29-27(23)37-3/h13-15,17-18,20,22H,4-12,16,19H2,1-3H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50051478 (2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(1,3,5-t...) Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(C)nn(C)c1C)c1ccccc1 Show InChI InChI=1S/C27H41N7O/c1-5-6-7-8-9-10-11-12-13-17-20-34-31-26(29-32-34)24(23-18-15-14-16-19-23)27(35)28-25-21(2)30-33(4)22(25)3/h14-16,18-19,24H,5-13,17,20H2,1-4H3,(H,28,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.				J Med Chem 39: 2354-66 (1996) Article DOI: 10.1021/jm960170f BindingDB Entry DOI: 10.7270/Q2W66JVV
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063220 (CHEMBL161270 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C29H41NO3/c1-6-7-8-9-10-14-20-33-29(32)26(23-16-12-11-13-17-23)28(31)30-27-24(21(2)3)18-15-19-25(27)22(4)5/h11-13,15-19,21-22,26H,6-10,14,20H2,1-5H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063229 (CHEMBL161292 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C31H45NO3/c1-6-7-8-9-10-11-12-16-22-35-31(34)28(25-18-14-13-15-19-25)30(33)32-29-26(23(2)3)20-17-21-27(29)24(4)5/h13-15,17-21,23-24,28H,6-12,16,22H2,1-5H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50281496 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.				Bioorg Med Chem Lett 3: 259-262 (1993) Article DOI: 10.1016/S0960-894X(01)80888-X BindingDB Entry DOI: 10.7270/Q2N58M9R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063235 (CHEMBL161798 | N-(2,6-Diisopropyl-phenyl)-2-phenyl...) Show SMILES CCCCCCCCCCC(C)OC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C33H49NO3/c1-7-8-9-10-11-12-13-15-19-26(6)37-33(36)30(27-20-16-14-17-21-27)32(35)34-31-28(24(2)3)22-18-23-29(31)25(4)5/h14,16-18,20-26,30H,7-13,15,19H2,1-6H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054281 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50041764 (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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2WQ04DZ
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50063232 (2-Phenyl-N-(2,4,6-trimethoxy-phenyl)-malonamic aci...) Show SMILES CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1 Show InChI InChI=1S/C30H43NO6/c1-5-6-7-8-9-10-11-12-13-17-20-37-30(33)27(23-18-15-14-16-19-23)29(32)31-28-25(35-3)21-24(34-2)22-26(28)36-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro Acyl coenzyme A:cholesterol acyltransferase inhibition in hepatic microsomes isolated from cholesterol-fed rats				J Med Chem 41: 682-90 (1998) Article DOI: 10.1021/jm970560h BindingDB Entry DOI: 10.7270/Q28051R8
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50053404 (CHEMBL340148 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...) Show SMILES CCCCCCCCCCCCc1nnc(o1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1 Show InChI InChI=1S/C34H49N3O2/c1-6-7-8-9-10-11-12-13-14-18-24-30-36-37-34(39-30)31(27-20-16-15-17-21-27)33(38)35-32-28(25(2)3)22-19-23-29(32)26(4)5/h15-17,19-23,25-26,31H,6-14,18,24H2,1-5H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver microsomes				J Med Chem 39: 3908-19 (1996) Article DOI: 10.1021/jm9604033 BindingDB Entry DOI: 10.7270/Q2MG7NMM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50054302 (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 |t:14| 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)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/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

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