Compile Data Set for Download or QSAR

Found 161 hits Enz. Inhib. hit(s) with all data for entry = 2660   

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
DNA ligase 1 (Homo sapiens (Human))	BDBM23079 (3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	-53.8	0.300	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23069 (3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	-53.3	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23079 (3-[4-(benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazo...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 Show InChI InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23078 (3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	-52.1	0.700	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23061 (7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C21H21ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.6	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23063 (7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...) Show SMILES Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl Show InChI InChI=1S/C21H20Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	-51.6	7	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23055 (alpha-ketooxazole, 5aa | methyl 2-{7-oxo-7-[5-(pyr...) Show SMILES COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-12-7-6-11-17(18)10-4-2-3-5-14-20(26)22-25-16-21(29-22)19-13-8-9-15-24-19/h6-9,11-13,15-16H,2-5,10,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	0.400	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23073 (3-[4-(phenoxymethyl)phenyl]-1-[5-(pyridin-2-yl)-1,...) Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	-51.4	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23053 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluo...) Show SMILES FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-10-7-9-16(14-17)8-3-1-2-4-12-19(28)21-27-15-20(29-21)18-11-5-6-13-26-18/h5-7,9-11,13-15H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1	-50.9	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23069 (3-[4-(benzyloxy)phenyl]-1-[5-(pyridin-2-yl)-1,3-ox...) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-11-18-9-12-20(13-10-18)28-17-19-6-2-1-3-7-19/h1-10,12-13,15-16H,11,14,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.7	1	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23065 (7-(3-methanesulfonylphenyl)-1-[5-(pyridin-2-yl)-1,...) Show SMILES CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H24N2O4S/c1-29(26,27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(28-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	-50.7	4	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23057 (alpha-ketooxazole, 5cc | methyl 4-{7-oxo-7-[5-(pyr...) Show SMILES COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-13-11-17(12-14-18)8-4-2-3-5-10-20(26)22-25-16-21(29-22)19-9-6-7-15-24-19/h6-7,9,11-16H,2-5,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	-49.9	0.240	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23045 (7-(2-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H21FN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	-49.6	30	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23056 (alpha-ketooxazole, 5bb | methyl 3-{7-oxo-7-[5-(pyr...) Show SMILES COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)18-11-8-10-17(15-18)9-4-2-3-5-13-20(26)22-25-16-21(29-22)19-12-6-7-14-24-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	-49.3	0.400	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23060 (7-(2-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H21ClN2O2/c22-17-11-6-5-10-16(17)9-3-1-2-4-13-19(25)21-24-15-20(26-21)18-12-7-8-14-23-18/h5-8,10-12,14-15H,1-4,9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	-49.8	20	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23075 (3-[4-(phenylamino)phenyl]-1-[5-(pyridin-2-yl)-1,3-...) Show SMILES O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H19N3O2/c27-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)26-18-6-2-1-3-7-18/h1-10,12-13,15-16,26H,11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2	-49.7	5	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23077 (3-[4-(phenylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...) Show SMILES O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H18N2O2S/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)28-18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	-49.4	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23046 (7-(3-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C21H21FN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-4,8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	-48.9	10	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23043 (alpha-ketooxazole, 5o | tert-butyl N-(3-{7-oxo-7-[...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-25(31)29-20-13-10-12-19(17-20)11-6-4-5-7-15-22(30)24-28-18-23(32-24)21-14-8-9-16-27-21/h8-10,12-14,16-18H,4-7,11,15H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	-48.7	n/a	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23039 (7-(3-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...) Show SMILES COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H24N2O3/c1-26-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(27-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	-48.6	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23050 (7-[4-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...) Show SMILES CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H24N2O2S/c1-27-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	-48.6	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23030 (7-(naphthalen-1-yl)-1-[5-(pyridin-2-yl)-1,3-oxazol...) Show SMILES O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C25H24N2O2/c28-23(25-27-18-24(29-25)22-15-7-8-17-26-22)16-4-2-1-3-10-19-12-9-13-20-11-5-6-14-21(19)20/h5-9,11-15,17-18H,1-4,10,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	-48.5	10	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23062 (7-(4-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C21H21ClN2O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	-48.9	30	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23037 (7-(4-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H24N2O2/c1-17-11-13-18(14-12-17)8-4-2-3-5-10-20(25)22-24-16-21(26-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	-48.3	40	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23078 (3-(4-phenylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H18N2O2/c26-21(23-25-16-22(27-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90	-48.7	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23042 (7-(4-aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C21H23N3O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	4	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23034 (7-(2-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C22H24N2O2/c1-17-10-6-7-12-18(17)11-4-2-3-5-14-20(25)22-24-16-21(26-22)19-13-8-9-15-23-19/h6-10,12-13,15-16H,2-5,11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.2	30	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23117 (6-(phenylsulfanyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O2S/c23-18(12-5-2-8-14-25-16-9-3-1-4-10-16)20-22-15-19(24-20)17-11-6-7-13-21-17/h1,3-4,6-7,9-11,13,15H,2,5,8,12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23076 (3-(4-benzylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O2/c27-22(24-26-17-23(28-24)21-8-4-5-15-25-21)14-13-18-9-11-20(12-10-18)16-19-6-2-1-3-7-19/h1-12,15,17H,13-14,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.5	3	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23047 (7-(4-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Fc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C21H21FN2O2/c22-17-12-10-16(11-13-17)7-3-1-2-4-9-19(25)21-24-15-20(26-21)18-8-5-6-14-23-18/h5-6,8,10-15H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.0	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23087 (7-(3-fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Fc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H17FN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-2,4,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20	-48.5	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23048 (7-[2-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...) Show SMILES CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C22H24N2O2S/c1-27-21-14-7-6-11-17(21)10-4-2-3-5-13-19(25)22-24-16-20(26-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	-47.9	30	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23036 (7-(3-methylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Cc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H24N2O2/c1-17-9-8-11-18(15-17)10-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-9,11-12,14-16H,2-5,10,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	-47.9	30	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23074 (3-(4-phenoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...) Show SMILES O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C23H18N2O3/c26-21(23-25-16-22(28-23)20-8-4-5-15-24-20)14-11-17-9-12-19(13-10-17)27-18-6-2-1-3-7-18/h1-10,12-13,15-16H,11,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.40	-48.3	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23054 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluo...) Show SMILES FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-12-10-16(11-13-17)7-3-1-2-4-9-19(28)21-27-15-20(29-21)18-8-5-6-14-26-18/h5-6,8,10-15H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.5	9	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23052 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-[2-(trifluo...) Show SMILES FC(F)(F)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C22H21F3N2O2/c23-22(24,25)17-11-6-5-10-16(17)9-3-1-2-4-13-19(28)21-27-15-20(29-21)18-12-7-8-14-26-18/h5-8,10-12,14-15H,1-4,9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.5	30	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23103 (2-[(4-phenylbutyl)sulfanyl]-1-[5-(pyridin-2-yl)-1,...) Show SMILES O=C(CSCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C20H20N2O2S/c23-18(15-25-13-7-5-10-16-8-2-1-3-9-16)20-22-14-19(24-20)17-11-4-6-12-21-17/h1-4,6,8-9,11-12,14H,5,7,10,13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4	-47.9	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23049 (7-[3-(methylsulfanyl)phenyl]-1-[5-(pyridin-2-yl)-1...) Show SMILES CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1 Show InChI InChI=1S/C22H24N2O2S/c1-27-18-11-8-10-17(15-18)9-4-2-3-5-13-20(25)22-24-16-21(26-22)19-12-6-7-14-23-19/h6-8,10-12,14-16H,2-5,9,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.20	-47.3	10	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23027 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-2...) Show SMILES O=C(CCCCCCc1cccs1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C19H20N2O2S/c22-17(11-4-2-1-3-8-15-9-7-13-24-15)19-21-14-18(23-19)16-10-5-6-12-20-16/h5-7,9-10,12-14H,1-4,8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	-47.3	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23120 (7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	-47.5	2	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23090 (7-(3-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES [O-][N+](=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H17N3O4/c25-19(21-23-15-20(28-21)18-11-5-6-13-22-18)12-4-2-1-3-8-16-9-7-10-17(14-16)24(26)27/h5-7,9-11,13-15H,1-2,4,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.80	-47.5	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23073 (3-[4-(phenoxymethyl)phenyl]-1-[5-(pyridin-2-yl)-1,...) Show SMILES O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C24H20N2O3/c27-22(24-26-16-23(29-24)21-8-4-5-15-25-21)14-13-18-9-11-19(12-10-18)17-28-20-6-2-1-3-7-20/h1-12,15-16H,13-14,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23101 (7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxa...) Show SMILES Clc1cccc(C#CCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl Show InChI InChI=1S/C21H16Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-2,4,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5	-47.4	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23029 (1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]-7-(thiophen-3...) Show SMILES O=C(CCCCCCc1ccsc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C19H20N2O2S/c22-17(9-4-2-1-3-7-15-10-12-24-14-15)19-21-13-18(23-19)16-8-5-6-11-20-16/h5-6,8,10-14H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.10	-46.9	40	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23044 (alpha-ketooxazole, 5p | tert-butyl N-(4-{7-oxo-7-[...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-25(31)29-20-15-13-19(14-16-20)10-6-4-5-7-12-22(30)24-28-18-23(32-24)21-11-8-9-17-27-21/h8-9,11,13-18H,4-7,10,12H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	-46.6	n/a	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23038 (7-(2-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...) Show SMILES COc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C22H24N2O3/c1-26-20-14-7-6-11-17(20)10-4-2-3-5-13-19(25)22-24-16-21(27-22)18-12-8-9-15-23-18/h6-9,11-12,14-16H,2-5,10,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	-46.5	10	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23040 (7-(4-methoxyphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol...) Show SMILES COc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C22H24N2O3/c1-26-18-13-11-17(12-14-18)8-4-2-3-5-10-20(25)22-24-16-21(27-22)19-9-6-7-15-23-19/h6-7,9,11-16H,2-5,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	-46.4	20	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23051 (7-(4-nitrophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES [O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C21H21N3O4/c25-19(21-23-15-20(28-21)18-8-5-6-14-22-18)9-4-2-1-3-7-16-10-12-17(13-11-16)24(26)27/h5-6,8,10-15H,1-4,7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	-46.3	0.5	n/a	n/a	n/a	n/a	9.0	22
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23067 (7-(4-hexylphenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2...) Show SMILES CCCCCCc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1 Show InChI InChI=1S/C27H34N2O2/c1-2-3-4-7-12-22-16-18-23(19-17-22)13-8-5-6-9-15-25(30)27-29-21-26(31-27)24-14-10-11-20-28-24/h10-11,14,16-21H,2-9,12-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.70	-46.7	30	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair
DNA ligase 1 (Homo sapiens (Human))	BDBM23099 (7-(3-chlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-...) Show SMILES Clc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H17ClN2O2/c22-17-10-7-9-16(14-17)8-3-1-2-4-12-19(25)21-24-15-20(26-21)18-11-5-6-13-23-18/h5-7,9-11,13-15H,1-2,4,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7	-46.5	n/a	n/a	n/a	n/a	n/a	n/a	25
The Scripps Research Institute					Assay Description The inhibition assays were performed by incubating enzyme, 14C-labeled oleamide in reaction buffer at room temperature in the presence of three diffe...				J Med Chem 50: 3359-68 (2007) Article DOI: 10.1021/jm061414r BindingDB Entry DOI: 10.7270/Q2DR2SSH
					More data for this Ligand-Target Pair

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