Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'maddox' and Initial = 'mm'   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435158 (CHEMBL2392762) Show SMILES Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H20ClN3O2/c1-8-12(16)13(21-19-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435174 (CHEMBL2392747) Show SMILES Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C23H28N4O3S/c24-18-1-3-20(4-2-18)27-31(29,30)21-7-5-19(6-8-21)25-22(28)26-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,27H,9-14,24H2,(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435162 (CHEMBL2392758) Show SMILES Cc1onc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1Br |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H20BrN3O2/c1-8-12(16)13(19-21-8)17-14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435159 (CHEMBL2392761) Show SMILES FC(F)(F)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)on1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C15H18F3N3O2/c16-15(17,18)11-4-12(23-21-11)19-13(22)20-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H2,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435152 (CHEMBL2392723) Show SMILES O=C(Nc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C18H21N3OS/c22-16(20-17-19-14-3-1-2-4-15(14)23-17)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435140 (CHEMBL2392735) Show SMILES Cc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:7:8:10:14.13.12,THB:8:9:12:17.16.15,8:16:10.9.14:12,15:16:10:14.13.12,15:13:10:17.8.16,(26.33,-.46,;25.87,-1.92,;24.41,-2.41,;24.42,-3.96,;23.09,-4.74,;21.76,-3.97,;21.76,-2.43,;20.43,-4.74,;19.1,-3.96,;18.6,-5.39,;19.09,-6.87,;17.76,-5.73,;16.28,-5.82,;15.73,-4.49,;17.02,-5.47,;16.24,-3.07,;17.77,-3.01,;18.19,-4.38,;25.89,-4.42,;26.78,-3.16,)| Show InChI InChI=1S/C15H21N3O2/c1-8-2-13(18-20-8)16-15(19)17-14-11-4-9-3-10(6-11)7-12(14)5-9/h2,9-12,14H,3-7H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435179 (CHEMBL2392742) Show SMILES COc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C22H27N5O4S/c1-31-20-7-6-19(25-26-20)27-32(29,30)18-4-2-17(3-5-18)23-21(28)24-22-11-14-8-15(12-22)10-16(9-14)13-22/h2-7,14-16H,8-13H2,1H3,(H,25,27)(H2,23,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435177 (CHEMBL2392744) Show SMILES Cc1nc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)oc1C |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16| Show InChI InChI=1S/C22H28N4O4S/c1-13-14(2)30-21(23-13)26-31(28,29)19-5-3-18(4-6-19)24-20(27)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-12H2,1-2H3,(H,23,26)(H2,24,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435176 (CHEMBL2392745) Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)n1 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C22H27N5O3S/c1-14-6-7-23-20(24-14)27-31(29,30)19-4-2-18(3-5-19)25-21(28)26-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-7,15-17H,8-13H2,1H3,(H,23,24,27)(H2,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435180 (CHEMBL2392741) Show SMILES Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C21H24ClN5O3S/c22-18-5-6-19(26-25-18)27-31(29,30)17-3-1-16(2-4-17)23-20(28)24-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15H,7-12H2,(H,26,27)(H2,23,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435156 (CHEMBL2392719) Show SMILES Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C |TLB:8:9:12:16.15.14,THB:17:9:12:16.15.14,17:15:12:18.10.9,10:11:14:18.9.17,10:9:12.11.16:14| Show InChI InChI=1S/C16H23N3O2/c1-9-10(2)19-21-14(9)17-15(20)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,3-8H2,1-2H3,(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435157 (CHEMBL2392763) Show SMILES Cc1noc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C16H20N4O2/c1-9-13(8-17)14(22-20-9)18-15(21)19-16-5-10-2-11(6-16)4-12(3-10)7-16/h10-12H,2-7H2,1H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435175 (CHEMBL2392746) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1C |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C22H28N4O4S/c1-13-14(2)25-30-20(13)26-31(28,29)19-5-3-18(4-6-19)23-21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17,26H,7-12H2,1-2H3,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435165 (CHEMBL2392755) Show SMILES O=C(Nc1ccon1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C14H19N3O2/c18-13(15-12-1-2-19-17-12)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435142 (CHEMBL2392733) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)Nc1ncco1 |TLB:2:3:5:9.7.8,THB:10:11:5:9.7.8,10:8:5:11.3.12,7:6:3:10.9.8,7:8:3:5.6.12| Show InChI InChI=1S/C14H19N3O2/c18-13(17-14-15-1-2-19-14)16-12-10-4-8-3-9(6-10)7-11(12)5-8/h1-2,8-12H,3-7H2,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435163 (CHEMBL2392757) Show SMILES CC(C)(C)c1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C18H27N3O2/c1-17(2,3)14-7-15(21-23-14)19-16(22)20-18-8-11-4-12(9-18)6-13(5-11)10-18/h7,11-13H,4-6,8-10H2,1-3H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435141 (CHEMBL2392734) Show SMILES CC(C)(C)c1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:10:11:13:17.16.15,THB:11:12:15:20.19.18,11:19:13.12.17:15,18:19:13:17.16.15,18:16:13:20.11.19,(13.67,-2.85,;12.16,-3.19,;11.12,-2.06,;12.55,-1.69,;11.7,-4.65,;10.24,-5.14,;10.25,-6.69,;8.92,-7.47,;7.59,-6.7,;7.59,-5.16,;6.25,-7.47,;4.92,-6.69,;4.43,-8.12,;4.92,-9.6,;3.59,-8.46,;2.11,-8.55,;1.56,-7.22,;2.85,-8.2,;2.07,-5.8,;3.6,-5.74,;4.01,-7.11,;11.72,-7.15,;12.61,-5.89,)| Show InChI InChI=1S/C18H27N3O2/c1-18(2,3)14-9-15(21-23-14)19-17(22)20-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,4-8H2,1-3H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435168 (CHEMBL2392752) Show SMILES O=C(Nc1ncncn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C14H19N5O/c20-13(18-12-16-7-15-8-17-12)19-14-4-9-1-10(5-14)3-11(2-9)6-14/h7-11H,1-6H2,(H2,15,16,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435155 (CHEMBL2392720) Show SMILES O=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C14H19N3OS/c18-12(16-13-15-1-2-19-13)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435172 (CHEMBL2392749) Show SMILES O=C(Nc1cccnc1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C16H21N3O/c20-15(18-14-2-1-3-17-10-14)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435153 (CHEMBL2392722) Show SMILES Cc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H21N3OS/c1-9-8-16-14(20-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435160 (CHEMBL2392760) Show SMILES Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)on1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C15H21N3O2/c1-9-2-13(20-18-9)16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H2,16,17,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435164 (CHEMBL2392756) Show SMILES Cc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C15H21N3O2/c1-9-2-13(18-20-9)16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435173 (CHEMBL2392748) Show SMILES O=C(Nc1ccncc1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C16H21N3O/c20-15(18-14-1-3-17-4-2-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis				J Med Chem 57: 8398-420 (2014) Article DOI: 10.1021/jm500853v BindingDB Entry DOI: 10.7270/Q25M679K
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435148 (CHEMBL2392727) Show SMILES O=C(Nc1nnc(o1)C1CCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13| Show InChI InChI=1S/C17H24N4O2/c22-15(18-16-21-20-14(23-16)13-2-1-3-13)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h10-13H,1-9H2,(H2,18,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435178 (CHEMBL2392743) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)no1 |TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16| Show InChI InChI=1S/C21H26N4O4S/c1-13-6-19(24-29-13)25-30(27,28)18-4-2-17(3-5-18)22-20(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,25)(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435136 (CHEMBL2392739) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)Nc1nnc(o1)C1CCC1 |TLB:2:3:5:9.8.7,THB:3:4:7:12.11.10,3:11:5.4.9:7,10:11:5:9.8.7,10:8:5:12.3.11,(33.73,-11.86,;33.73,-13.4,;32.4,-14.17,;31.07,-13.39,;30.57,-14.82,;31.07,-16.3,;29.73,-15.17,;28.25,-15.25,;27.71,-13.93,;28.99,-14.91,;28.22,-12.51,;29.74,-12.44,;30.16,-13.82,;35.06,-14.17,;36.39,-13.39,;37.86,-13.85,;38.76,-12.6,;37.84,-11.36,;36.38,-11.85,;38.31,-9.89,;39.67,-9.19,;38.96,-7.82,;37.59,-8.53,)| Show InChI InChI=1S/C17H24N4O2/c22-16(19-17-21-20-15(23-17)11-2-1-3-11)18-14-12-5-9-4-10(7-12)8-13(14)6-9/h9-14H,1-8H2,(H2,18,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435154 (CHEMBL2392721) Show SMILES Cc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C15H21N3OS/c1-9-8-20-14(16-9)17-13(19)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8,10-12H,2-7H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435143 (CHEMBL2392732) Show SMILES Cn1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cn1 |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C15H22N4O/c1-19-9-13(8-16-19)17-14(20)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8-12H,2-7H2,1H3,(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	488	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435149 (CHEMBL2392726) Show SMILES O=C(Nc1nnc(o1)C1CC1)NC12CC3CC(CC(C3)C1)C2 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C16H22N4O2/c21-14(17-15-20-19-13(22-15)12-1-2-12)18-16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12H,1-8H2,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	503	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435150 (CHEMBL2392725) Show SMILES CC(C)c1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C16H24N4O2/c1-9(2)13-19-20-15(22-13)17-14(21)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	557	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435151 (CHEMBL2392724) Show SMILES Cc1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C14H20N4O2/c1-8-17-18-13(20-8)15-12(19)16-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H2,15,16,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	595	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435139 (CHEMBL2392736) Show SMILES Cc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(39.32,-1.02,;38.85,-2.49,;39.77,-3.73,;38.87,-4.98,;37.4,-4.53,;36.07,-5.3,;34.74,-4.53,;34.74,-2.99,;33.41,-5.3,;32.08,-4.53,;31.58,-5.96,;32.08,-7.44,;30.74,-6.3,;29.26,-6.38,;28.72,-5.06,;30,-6.04,;29.23,-3.64,;30.75,-3.58,;31.17,-4.95,;37.39,-2.98,)| Show InChI InChI=1S/C15H21N3OS/c1-8-7-20-15(16-8)18-14(19)17-13-11-3-9-2-10(5-11)6-12(13)4-9/h7,9-13H,2-6H2,1H3,(H2,16,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435144 (CHEMBL2392731) Show SMILES CCCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C18H28N4O/c1-3-4-22-12(2)5-16(21-22)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h5,13-15H,3-4,6-11H2,1-2H3,(H2,19,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	751	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435169 (CHEMBL2392751) Show SMILES O=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C15H20N4O/c20-14(18-13-1-2-16-9-17-13)19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H2,16,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435138 (CHEMBL2392737) Show SMILES CC(C)c1nnc(NC(=O)NC2C3CC4CC(C3)CC2C4)o1 |TLB:10:11:13:17.16.15,THB:11:12:15:20.19.18,11:19:13.12.17:15,18:19:13:17.16.15,18:16:13:20.11.19,(14.26,-8.9,;12.75,-9.23,;11.71,-8.09,;12.29,-10.7,;13.2,-11.94,;12.31,-13.19,;10.84,-12.73,;9.51,-13.51,;8.18,-12.74,;8.18,-11.2,;6.85,-13.51,;5.52,-12.73,;5.02,-14.16,;5.51,-15.64,;4.18,-14.51,;2.7,-14.59,;2.15,-13.27,;3.44,-14.24,;2.66,-11.84,;4.19,-11.78,;4.6,-13.16,;10.83,-11.18,)| Show InChI InChI=1S/C16H24N4O2/c1-8(2)14-19-20-16(22-14)18-15(21)17-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435146 (CHEMBL2392729) Show SMILES CCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C16H24N4O/c1-2-20-4-3-14(19-20)17-15(21)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h3-4,11-13H,2,5-10H2,1H3,(H2,17,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	884	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435134 (CHEMBL2392718) Show SMILES CCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:9:10:12:16.15.14,THB:10:11:14:19.18.17,10:18:12.11.16:14,17:18:12:16.15.14,17:15:12:19.10.18,(29.77,-16.54,;29.31,-18.01,;27.8,-18.34,;27.34,-19.81,;25.88,-20.3,;25.89,-21.85,;24.56,-22.63,;23.23,-21.86,;23.23,-20.32,;21.9,-22.63,;20.57,-21.85,;20.07,-23.28,;20.56,-24.76,;19.23,-23.62,;17.75,-23.71,;17.2,-22.38,;18.49,-23.36,;17.71,-20.96,;19.24,-20.9,;19.66,-22.27,;27.36,-22.3,;28.25,-21.05,;29.79,-21.04,)| Show InChI InChI=1S/C18H28N4O/c1-3-4-22-11(2)5-16(21-22)19-18(23)20-17-14-7-12-6-13(9-14)10-15(17)8-12/h5,12-15,17H,3-4,6-10H2,1-2H3,(H2,19,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	936	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435166 (CHEMBL2392754) Show SMILES O=C(Nc1ncco1)NC12CC3CC(CC(C3)C1)C2 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C14H19N3O2/c18-12(16-13-15-1-2-19-13)17-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	948	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435167 (CHEMBL2392753) Show SMILES O=C(Nc1nccnn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C14H19N5O/c20-13(17-12-15-1-2-16-19-12)18-14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H2,15,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435171 (CHEMBL1346880) Show SMILES O=C(Nc1ccccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13| Show InChI InChI=1S/C16H21N3O/c20-15(18-14-3-1-2-4-17-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435161 (CHEMBL2392759) Show SMILES Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)no1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C16H23N3O2/c1-10-2-14(19-21-10)9-17-15(20)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h2,11-13H,3-9H2,1H3,(H2,17,18,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435147 (CHEMBL2392728) Show SMILES O=C(Nc1nnc(o1)-c1cccs1)NC12CC3CC(CC(C3)C1)C2 |TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14| Show InChI InChI=1S/C17H20N4O2S/c22-15(18-16-21-20-14(23-16)13-2-1-3-24-13)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H2,18,19,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435137 (CHEMBL2392738) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)Nc1nnc(o1)C1CC1 |TLB:2:3:5:9.8.7,THB:3:4:7:12.11.10,3:11:5.4.9:7,10:11:5:9.8.7,10:8:5:12.3.11,(21.06,-10.56,;21.06,-12.1,;19.73,-12.87,;18.4,-12.09,;17.9,-13.52,;18.39,-15,;17.06,-13.87,;15.58,-13.95,;15.03,-12.63,;16.32,-13.61,;15.54,-11.21,;17.07,-11.14,;17.49,-12.52,;22.39,-12.87,;23.72,-12.09,;25.19,-12.55,;26.08,-11.3,;25.17,-10.06,;23.71,-10.55,;25.63,-8.59,;26.76,-7.55,;25.29,-7.09,)| Show InChI InChI=1S/C16H22N4O2/c21-15(18-16-20-19-14(22-16)10-1-2-10)17-13-11-4-8-3-9(6-11)7-12(13)5-8/h8-13H,1-7H2,(H2,17,18,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435135 (CHEMBL2392740) Show SMILES CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(14.16,-17.48,;12.65,-17.82,;12.19,-19.28,;10.73,-19.77,;10.74,-21.32,;9.41,-22.1,;8.08,-21.33,;8.08,-19.79,;6.74,-22.1,;5.41,-21.32,;4.92,-22.75,;5.41,-24.23,;4.08,-23.09,;2.6,-23.18,;2.05,-21.85,;3.34,-22.83,;2.56,-20.43,;4.09,-20.37,;4.5,-21.74,;12.21,-21.78,;13.1,-20.52,;14.64,-20.51,)| Show InChI InChI=1S/C17H26N4O/c1-3-21-10(2)4-15(20-21)18-17(22)19-16-13-6-11-5-12(8-13)9-14(16)7-11/h4,11-14,16H,3,5-9H2,1-2H3,(H2,18,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435145 (CHEMBL2392730) Show SMILES CCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C17H26N4O/c1-3-21-11(2)4-15(20-21)18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,3,5-10H2,1-2H3,(H2,18,19,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435170 (CHEMBL2392750) Show SMILES O=C(Nc1ncccn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15| Show InChI InChI=1S/C15H20N4O/c20-14(18-13-16-2-1-3-17-13)19-15-7-10-4-11(8-15)6-12(5-10)9-15/h1-3,10-12H,4-9H2,(H2,16,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...				Bioorg Med Chem 21: 2587-99 (2013) Article DOI: 10.1016/j.bmc.2013.02.028 BindingDB Entry DOI: 10.7270/Q2DR2WXJ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM21691 (1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...) Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12 Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis				J Med Chem 57: 8398-420 (2014) Article DOI: 10.1021/jm500853v BindingDB Entry DOI: 10.7270/Q25M679K
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50027668 (CHEMBL3357531) Show SMILES CC1(C)C2CC1C(\C=C\C(=O)c1ccc(O)cc1O)=CC2 |c:20| Show InChI InChI=1S/C18H20O3/c1-18(2)12-5-3-11(15(18)9-12)4-8-16(20)14-7-6-13(19)10-17(14)21/h3-4,6-8,10,12,15,19,21H,5,9H2,1-2H3/b8-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis				J Med Chem 57: 8398-420 (2014) Article DOI: 10.1021/jm500853v BindingDB Entry DOI: 10.7270/Q25M679K
					More data for this Ligand-Target Pair

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