Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'pennev' and Initial = 'p'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50280516 (2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...) Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50280515 (2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...) Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to mu opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to delta opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50280516 (2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...) Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	304	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to mu opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50280515 (2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...) Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to mu opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	696	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to sigma opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	825	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to mu opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to kappa opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50280516 (2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...) Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to delta opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50280516 (2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...) Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to sigma opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50280515 (2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...) Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to sigma opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50280515 (2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...) Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to delta opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to sigma opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity to delta opioid receptor				Bioorg Med Chem Lett 2: 715-720 (1992) Article DOI: 10.1016/S0960-894X(00)80398-4 BindingDB Entry DOI: 10.7270/Q27P8ZVH
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037666 (3-(2,4-Difluoro-phenyl)-1-[8-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C37H46F2N4OS/c1-2-3-4-7-16-25-43(37(44)40-33-24-23-31(38)28-32(33)39)26-17-8-5-6-9-18-27-45-36-41-34(29-19-12-10-13-20-29)35(42-36)30-21-14-11-15-22-30/h10-15,19-24,28H,2-9,16-18,25-27H2,1H3,(H,40,44)(H,41,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037663 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCS(=O)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H40F2N4O2S/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-43(42)33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033969 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033969 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033969 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037664 (3-Cyclohexyl-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsu...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C34H48N4OS/c1-2-3-4-5-16-25-38(34(39)35-30-23-14-8-15-24-30)26-17-9-18-27-40-33-36-31(28-19-10-6-11-20-28)32(37-33)29-21-12-7-13-22-29/h6-7,10-13,19-22,30H,2-5,8-9,14-18,23-27H2,1H3,(H,35,39)(H,36,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037638 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H44N4OS/c1-2-3-4-5-6-17-26-36-35(40)39(31-24-15-9-16-25-31)27-18-10-19-28-41-34-37-32(29-20-11-7-12-21-29)33(38-34)30-22-13-8-14-23-30/h7-9,11-16,20-25H,2-6,10,17-19,26-28H2,1H3,(H,36,40)(H,37,38)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037622 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NCCC Show InChI InChI=1S/C31H44N4OS/c1-3-5-6-7-15-23-35(31(36)32-22-4-2)24-16-10-17-25-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,36)(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033960 (CHEMBL11612 | N-{5-[4,5-Bis-(4-methoxy-phenyl)-1H-...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1)C(=O)CC1CCCCC1 Show InChI InChI=1S/C37H53N3O3S/c1-4-5-6-7-12-25-40(34(41)28-29-15-10-8-11-16-29)26-13-9-14-27-44-37-38-35(30-17-21-32(42-2)22-18-30)36(39-37)31-19-23-33(43-3)24-20-31/h17-24,29H,4-16,25-28H2,1-3H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt 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
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037634 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCS(=O)(=O)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H40F2N4O3S/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-44(42,43)33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037625 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1c(F)cc(F)cc1F Show InChI InChI=1S/C34H39F3N4OS/c1-2-3-4-5-13-20-41(34(42)40-32-28(36)23-27(35)24-29(32)37)21-14-8-15-22-43-33-38-30(25-16-9-6-10-17-25)31(39-33)26-18-11-7-12-19-26/h6-7,9-12,16-19,23-24H,2-5,8,13-15,20-22H2,1H3,(H,38,39)(H,40,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037637 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1c(F)cc(F)cc1F Show InChI InChI=1S/C35H41F3N4OS/c1-2-3-4-5-6-14-21-39-35(43)42(33-29(37)24-28(36)25-30(33)38)22-15-9-16-23-44-34-40-31(26-17-10-7-11-18-26)32(41-34)27-19-12-8-13-20-27/h7-8,10-13,17-20,24-25H,2-6,9,14-16,21-23H2,1H3,(H,39,43)(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037636 (CHEMBL119759 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Oc1ccccc1 Show InChI InChI=1S/C34H41N3O2S/c1-2-3-4-5-16-25-37(34(38)39-30-23-14-8-15-24-30)26-17-9-18-27-40-33-35-31(28-19-10-6-11-20-28)32(36-33)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033950 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diisopropyl-1H-i...) Show SMILES CCCCCCCN(CCCCCSc1nc(C(C)C)c([nH]1)C(C)C)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C28H44F2N4OS/c1-6-7-8-9-11-16-34(28(35)31-24-15-14-22(29)19-23(24)30)17-12-10-13-18-36-27-32-25(20(2)3)26(33-27)21(4)5/h14-15,19-21H,6-13,16-18H2,1-5H3,(H,31,35)(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033949 (1-[5-(4,5-Dicyclohexyl-1H-imidazol-2-ylsulfanyl)-p...) Show SMILES CCCCCCCN(CCCCCSc1nc(C2CCCCC2)c([nH]1)C1CCCCC1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H52F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h20-21,25-27H,2-19,22-24H2,1H3,(H,37,41)(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037665 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C Show InChI InChI=1S/C31H44N4OS/c1-4-5-6-7-15-22-35(31(36)32-25(2)3)23-16-10-17-24-37-30-33-28(26-18-11-8-12-19-26)29(34-30)27-20-13-9-14-21-27/h8-9,11-14,18-21,25H,4-7,10,15-17,22-24H2,1-3H3,(H,32,36)(H,33,34)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037642 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H42N4OS/c1-2-3-4-5-16-25-38(34(39)35-30-23-14-8-15-24-30)26-17-9-18-27-40-33-36-31(28-19-10-6-11-20-28)32(37-33)29-21-12-7-13-22-29/h6-8,10-15,19-24H,2-5,9,16-18,25-27H2,1H3,(H,35,39)(H,36,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037650 (2-(2,4-Difluoro-phenyl)-N-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Cc1ccc(F)cc1F Show InChI InChI=1S/C35H41F2N3OS/c1-2-3-4-5-13-22-40(32(41)25-29-20-21-30(36)26-31(29)37)23-14-8-15-24-42-35-38-33(27-16-9-6-10-17-27)34(39-35)28-18-11-7-12-19-28/h6-7,9-12,16-21,26H,2-5,8,13-15,22-25H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037620 (3-(2,4-Difluoro-phenyl)-1-[3-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCN(Cc1cccc(CSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C37H38F2N4OS/c1-2-3-4-5-12-22-43(37(44)40-33-21-20-31(38)24-32(33)39)25-27-14-13-15-28(23-27)26-45-36-41-34(29-16-8-6-9-17-29)35(42-36)30-18-10-7-11-19-30/h6-11,13-21,23-24H,2-5,12,22,25-26H2,1H3,(H,40,44)(H,41,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037653 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C30H32F2N4OS/c1-2-18-36(30(37)33-26-17-16-24(31)21-25(26)32)19-10-5-11-20-38-29-34-27(22-12-6-3-7-13-22)28(35-29)23-14-8-4-9-15-23/h3-4,6-9,12-17,21H,2,5,10-11,18-20H2,1H3,(H,33,37)(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037656 (CHEMBL115686 | N-[5-(4,5-Diphenyl-1H-imidazol-2-yl...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)CCC Show InChI InChI=1S/C31H43N3OS/c1-3-5-6-7-15-23-34(28(35)18-4-2)24-16-10-17-25-36-31-32-29(26-19-11-8-12-20-26)30(33-31)27-21-13-9-14-22-27/h8-9,11-14,19-22H,3-7,10,15-18,23-25H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037661 (2-Cyclohexyl-N-[5-(4,5-diphenyl-1H-imidazol-2-ylsu...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)CC1CCCCC1 Show InChI InChI=1S/C35H49N3OS/c1-2-3-4-5-16-25-38(32(39)28-29-19-10-6-11-20-29)26-17-9-18-27-40-35-36-33(30-21-12-7-13-22-30)34(37-35)31-23-14-8-15-24-31/h7-8,12-15,21-24,29H,2-6,9-11,16-20,25-28H2,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037648 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=S)Nc1c(F)cc(F)cc1F Show InChI InChI=1S/C34H39F3N4S2/c1-2-3-4-5-13-20-41(34(42)40-32-28(36)23-27(35)24-29(32)37)21-14-8-15-22-43-33-38-30(25-16-9-6-10-17-25)31(39-33)26-18-11-7-12-19-26/h6-7,9-12,16-19,23-24H,2-5,8,13-15,20-22H2,1H3,(H,38,39)(H,40,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033966 (CHEMBL11267 | N-[5-[(1H,9H-dibenzo[4,5:8,9] [1,3]d...) Show SMILES CCCCCCCN(CCCCCSc1nc-2c([nH]1)-c1ccccc1OCOc1ccccc-21)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C35H40F2N4O3S/c1-2-3-4-5-11-20-41(35(42)38-29-19-18-25(36)23-28(29)37)21-12-6-13-22-45-34-39-32-26-14-7-9-16-30(26)43-24-44-31-17-10-8-15-27(31)33(32)40-34/h7-10,14-19,23H,2-6,11-13,20-22,24H2,1H3,(H,38,42)(H,39,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033971 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCOCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC(C)C Show InChI InChI=1S/C30H42N4O3S/c1-4-36-21-22-37-20-19-34(30(35)31-24(2)3)18-12-7-13-23-38-29-32-27(25-14-8-5-9-15-25)28(33-29)26-16-10-6-11-17-26/h5-6,8-11,14-17,24H,4,7,12-13,18-23H2,1-3H3,(H,31,35)(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037624 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCCc2ccccc2)c(F)c1 Show InChI InChI=1S/C36H36F2N4OS/c37-30-21-22-32(31(38)26-30)39-36(43)42(24-13-16-27-14-5-1-6-15-27)23-11-4-12-25-44-35-40-33(28-17-7-2-8-18-28)34(41-35)29-19-9-3-10-20-29/h1-3,5-10,14-15,17-22,26H,4,11-13,16,23-25H2,(H,39,43)(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037623 (CHEMBL119271 | [5-(4,5-Diphenyl-1H-imidazol-2-ylsu...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)OCCC Show InChI InChI=1S/C31H43N3O2S/c1-3-5-6-7-15-22-34(31(35)36-24-4-2)23-16-10-17-25-37-30-32-28(26-18-11-8-12-19-26)29(33-30)27-20-13-9-14-21-27/h8-9,11-14,18-21H,3-7,10,15-17,22-25H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033975 (1-{5-[4,5-Bis-(3-methoxy-phenyl)-1H-imidazol-2-yls...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1cccc(OC)c1)-c1cccc(OC)c1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C36H44F2N4O3S/c1-4-5-6-7-9-20-42(36(43)39-32-19-18-28(37)25-31(32)38)21-10-8-11-22-46-35-40-33(26-14-12-16-29(23-26)44-2)34(41-35)27-15-13-17-30(24-27)45-3/h12-19,23-25H,4-11,20-22H2,1-3H3,(H,39,43)(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037654 (1-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CC(C)NC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccc(F)cc1F Show InChI InChI=1S/C30H32F2N4OS/c1-21(2)33-30(37)36(26-17-16-24(31)20-25(26)32)18-10-5-11-19-38-29-34-27(22-12-6-3-7-13-22)28(35-29)23-14-8-4-9-15-23/h3-4,6-9,12-17,20-21H,5,10-11,18-19H2,1-2H3,(H,33,37)(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037628 (1-[5-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-penty...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)NC Show InChI InChI=1S/C29H40N4OS/c1-3-4-5-6-14-21-33(29(34)30-2)22-15-9-16-23-35-28-31-26(24-17-10-7-11-18-24)27(32-28)25-19-12-8-13-20-25/h7-8,10-13,17-20H,3-6,9,14-16,21-23H2,1-2H3,(H,30,34)(H,31,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033998 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES OCCOCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C31H34F2N4O3S/c32-25-14-15-27(26(33)22-25)34-31(39)37(17-19-40-20-18-38)16-8-3-9-21-41-30-35-28(23-10-4-1-5-11-23)29(36-30)24-12-6-2-7-13-24/h1-2,4-7,10-15,22,38H,3,8-9,16-21H2,(H,34,39)(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50033997 (1-{5-[4,5-Bis-(4-fluoro-phenyl)-1H-imidazol-2-ylsu...) Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C34H38F4N4OS/c1-2-3-4-5-7-20-42(34(43)39-30-19-18-28(37)23-29(30)38)21-8-6-9-22-44-33-40-31(24-10-14-26(35)15-11-24)32(41-33)25-12-16-27(36)17-13-25/h10-19,23H,2-9,20-22H2,1H3,(H,39,43)(H,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol acyltransferase 1 in vitro using rat liver microsome.				J Med Chem 38: 1067-83 (1995) BindingDB Entry DOI: 10.7270/Q28S4P0T
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037615 (1-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES CCCCCCCCNC(=O)N(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccc(F)cc1F Show InChI InChI=1S/C35H42F2N4OS/c1-2-3-4-5-6-14-23-38-35(42)41(31-22-21-29(36)26-30(31)37)24-15-9-16-25-43-34-39-32(27-17-10-7-11-18-27)33(40-34)28-19-12-8-13-20-28/h7-8,10-13,17-22,26H,2-6,9,14-16,23-25H2,1H3,(H,38,42)(H,39,40)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50037644 (3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...) Show SMILES Fc1ccc(NC(=O)N(CCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)CCCCc2ccccc2)c(F)c1 Show InChI InChI=1S/C37H38F2N4OS/c38-31-22-23-33(32(39)27-31)40-37(44)43(25-13-11-17-28-15-5-1-6-16-28)24-12-4-14-26-45-36-41-34(29-18-7-2-8-19-29)35(42-36)30-20-9-3-10-21-30/h1-3,5-10,15-16,18-23,27H,4,11-14,17,24-26H2,(H,40,44)(H,41,42)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepatic microsomes				J Med Chem 37: 3511-22 (1994) BindingDB Entry DOI: 10.7270/Q2MK6BXK
					More data for this Ligand-Target Pair

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