Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50048800   

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
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227935 (CHEMBL75708) Show SMILES CCCCCCN(CCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C21H36N2O/c1-5-7-9-11-15-23(16-12-10-8-6-2)21(24)22-20-14-13-18(3)17-19(20)4/h13-14,17H,5-12,15-16H2,1-4H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227908 (CHEMBL77988) Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	406	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227918 (CHEMBL75224) Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227912 (CHEMBL75204) Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl Show InChI InChI=1S/C19H23Cl3N2OS/c1-2-3-4-5-6-9-24(13-14-8-7-10-26-14)19(25)23-18-12-16(21)15(20)11-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227931 (CHEMBL76938) Show SMILES CCCCCCCCCCN(CCCCCCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C29H52N2O/c1-5-7-9-11-13-15-17-19-23-31(24-20-18-16-14-12-10-8-6-2)29(32)30-28-22-21-26(3)25-27(28)4/h21-22,25H,5-20,23-24H2,1-4H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	629	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227921 (CHEMBL75709) Show SMILES CCCCCCCN(CCCCCCC)C(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C23H40N2O/c1-5-7-9-11-13-17-25(18-14-12-10-8-6-2)23(26)24-22-16-15-20(3)19-21(22)4/h15-16,19H,5-14,17-18H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	721	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227932 (CHEMBL77164) Show SMILES FC(F)(F)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C22H19F3N2O/c23-22(24,25)19-12-7-13-20(14-19)26-21(28)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227944 (CHEMBL77942) Show SMILES Cc1cc(Cl)ccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C22H21ClN2O/c1-17-14-20(23)12-13-21(17)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227934 (CHEMBL75371) Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1 Show InChI InChI=1S/C24H26N2O/c1-18-14-19(2)23(20(3)15-18)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227917 (CHEMBL77694) Show SMILES Clc1cc(Cl)cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 Show InChI InChI=1S/C21H18Cl2N2O/c22-18-11-19(23)13-20(12-18)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227942 (CHEMBL76016) Show SMILES CCCCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C Show InChI InChI=1S/C19H23ClN2O/c1-3-4-12-22(14-16-8-6-5-7-9-16)19(23)21-18-11-10-17(20)13-15(18)2/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227904 (CHEMBL74961) Show SMILES Cc1c(Cl)cccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C22H21ClN2O/c1-17-20(23)13-8-14-21(17)24-22(26)25(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50227937 (CHEMBL76258) Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl Show InChI InChI=1S/C22H21ClN2O/c1-17-12-13-20(14-21(17)23)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
American Cyanamid Company Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals				J Med Chem 32: 2318-25 (1989) BindingDB Entry DOI: 10.7270/Q2QZ2D5R
					More data for this Ligand-Target Pair