Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50043720   

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))	BDBM50445106 (CHEMBL3103821) Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:23:20:26.25.27,24:25:22.23.28:20| Show InChI InChI=1S/C23H32N4O4/c1-26(20(28)21(29)27(2)31-3)19-6-4-15(5-7-19)14-24-22(30)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,8-14H2,1-3H3,(H2,24,25,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445105 (CHEMBL3103817) Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:24:21.22.27:19,23:22:19:24.25.26| Show InChI InChI=1S/C23H31N3O4/c1-25(21(28)22(29)26(2)30-3)19-6-4-18(5-7-19)24-20(27)14-23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,8-14H2,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445104 (CHEMBL3103820) Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:22:19:25.24.26,23:24:21.22.27:19| Show InChI InChI=1S/C22H30N4O4/c1-26(30-2)20(28)19(27)24-18-5-3-14(4-6-18)13-23-21(29)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-13H2,1-2H3,(H,24,27)(H2,23,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445103 (CHEMBL3103818) Show SMILES CONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.18.24:25,THB:20:19:21.26.22:25,22:21:18:24.23.25,22:23:20.21.26:18| Show InChI InChI=1S/C21H28N4O4/c1-29-25-19(27)18(26)23-17-4-2-13(3-5-17)12-22-20(28)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,23,26)(H,25,27)(H2,22,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445102 (CHEMBL3103786) Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.20.26:27,THB:22:21:23.28.24:27,24:25:22.23.28:20,24:23:20:25.26.27| Show InChI InChI=1S/C24H33N3O4/c1-26(22(29)23(30)27(2)31-3)20-6-4-16(5-7-20)15-25-21(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,17-19H,8-15H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445101 (CHEMBL1539296) Show SMILES O=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14| Show InChI InChI=1S/C18H24N2O/c21-17(19-12-13-4-2-1-3-5-13)20-18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445100 (CHEMBL3103819) Show SMILES CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:24:22.21.27:28,THB:23:22:24.29.25:28,25:24:21:27.26.28,25:26:23.24.29:21| Show InChI InChI=1S/C24H34N4O4/c1-23(2,3)32-28-21(30)20(29)26-19-6-4-15(5-7-19)14-25-22(31)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18H,8-14H2,1-3H3,(H,26,29)(H,28,30)(H2,25,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445099 (CHEMBL3103822) Show SMILES O=C(NCc1ccc(NC(=O)C(=O)NOC2CCCCO2)cc1)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:26.25.31:32,THB:27:26:28.33.29:32,29:28:25:31.30.32,29:30:27.28.33:25| Show InChI InChI=1S/C25H34N4O5/c30-22(23(31)29-34-21-3-1-2-8-33-21)27-20-6-4-16(5-7-20)15-26-24(32)28-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19,21H,1-3,8-15H2,(H,27,30)(H,29,31)(H2,26,28,32)	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
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445098 (CHEMBL3103787) Show SMILES CON(C)C(=O)C(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.24.18:25,THB:20:19:21.22.26:25,22:23:20.21.26:18,22:21:18:23.24.25| Show InChI InChI=1S/C22H29N3O4/c1-25(29-2)21(28)20(27)24-18-5-3-17(4-6-18)23-19(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,7-13H2,1-2H3,(H,23,26)(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445097 (CHEMBL3103800) Show SMILES O=C(NOCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:16:17:14.15.20:21,13:14:17.23.18:21,THB:16:15:17.23.18:21,18:17:14:20.19.21,18:19:14:16.17.23,(46.47,-5.68,;46.47,-4.14,;47.81,-3.37,;49.14,-4.14,;50.48,-3.37,;51.81,-4.14,;51.81,-5.68,;53.14,-6.45,;54.48,-5.68,;54.47,-4.13,;53.14,-3.36,;45.14,-3.37,;45.14,-1.82,;43.8,-4.14,;42.47,-3.36,;41.02,-3.8,;40.11,-5.07,;40.24,-3.32,;39.3,-2.17,;40.05,-.95,;40.02,-2.57,;41.5,-.53,;42.45,-1.72,;41.59,-2.87,)| Show InChI InChI=1S/C19H24N2O3/c22-18(19(23)21-24-11-12-4-2-1-3-5-12)20-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-17H,6-11H2,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445096 (CHEMBL3103816) Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.19.25:26,THB:21:20:22.27.23:26,23:24:21.22.27:19,23:22:19:24.25.26| Show InChI InChI=1S/C23H31N3O4/c1-26(30-2)22(29)21(28)25-19-5-3-15(4-6-19)14-24-20(27)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445095 (CHEMBL3103813) Show SMILES CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:20:21:19.24.18:25,THB:20:19:21.22.26:25,22:23:20.21.26:18,22:21:18:23.24.25| Show InChI InChI=1S/C22H29N3O4/c1-25(29-2)20(27)19(26)24-18-5-3-14(4-6-18)13-23-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17H,7-13H2,1-2H3,(H,23,28)(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445094 (CHEMBL3103814) Show SMILES CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:24:21.22.27:19,23:22:19:24.25.26| Show InChI InChI=1S/C23H31N3O4/c1-25(20(27)21(28)26(2)30-3)19-6-4-15(5-7-19)14-24-22(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,16-18H,8-14H2,1-3H3,(H,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445093 (CHEMBL3103811) Show SMILES CONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:19:20:18.23.17:24,THB:19:18:20.21.25:24,21:22:19.20.25:17,21:20:17:22.23.24| Show InChI InChI=1S/C21H27N3O4/c1-28-24-19(26)18(25)23-17-4-2-13(3-5-17)12-22-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,27)(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445092 (CHEMBL3103812) Show SMILES CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:23:21.26.20:27,THB:22:21:23.24.28:27,24:25:22.23.28:20,24:23:20:25.26.27| Show InChI InChI=1S/C24H33N3O4/c1-23(2,3)31-27-21(29)20(28)26-19-6-4-15(5-7-19)14-25-22(30)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,16-18H,8-14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445091 (CHEMBL3103806) Show SMILES O=C(NOCCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:15:16:18.19.25:22.21.23,15:16:19.25.20:23,18:19:16.17.22:23,THB:20:19:16:22.21.23,20:21:16:18.19.25,18:17:19.25.20:23,(6.85,-17.9,;6.85,-16.36,;8.19,-15.59,;9.52,-16.36,;10.86,-15.59,;12.2,-16.36,;13.53,-15.58,;14.86,-16.36,;14.85,-17.9,;16.18,-18.67,;17.52,-17.9,;17.52,-16.35,;16.18,-15.59,;5.51,-15.59,;5.51,-14.04,;4.18,-16.36,;2.84,-15.58,;1.38,-15.98,;.43,-17.22,;.62,-15.48,;-.3,-14.3,;.5,-13.1,;.41,-14.71,;1.96,-12.71,;2.88,-13.94,;1.97,-15.06,)| Show InChI InChI=1S/C21H28N2O3/c24-20(21(25)23-26-8-4-7-14-5-2-1-3-6-14)22-19-17-10-15-9-16(12-17)13-18(19)11-15/h1-3,5-6,15-19H,4,7-13H2,(H,22,24)(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445090 (CHEMBL3103799) Show SMILES O=C(NCC12CC3CC(CC(C3)C1)C2)C(=O)NOCc1ccccc1 |TLB:7:8:6.5.11:12,THB:9:8:5:11.10.12,9:10:7.8.13:5,7:6:8.13.9:12| Show InChI InChI=1S/C20H26N2O3/c23-18(19(24)22-25-12-14-4-2-1-3-5-14)21-13-20-9-15-6-16(10-20)8-17(7-15)11-20/h1-5,15-17H,6-13H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	838	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445084 (CHEMBL3103815) Show SMILES O=C(NOC1CCCCO1)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:24:25:23.28.22:29,THB:24:23:25.26.30:29,26:27:24.25.30:22,26:25:22:27.28.29| Show InChI InChI=1S/C25H33N3O5/c29-22(23(30)28-33-21-3-1-2-8-32-21)27-20-6-4-16(5-7-20)15-26-24(31)25-12-17-9-18(13-25)11-19(10-17)14-25/h4-7,17-19,21H,1-3,8-15H2,(H,26,31)(H,27,29)(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445085 (CHEMBL1433300) Show SMILES O=C(NCc1ccccc1)C12CC3CC(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/C18H23NO/c20-17(19-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445089 (CHEMBL3103802) Show SMILES COC(=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:22:21:25:18.17.16,22:17:25:21.23.20,THB:15:16:25:21.23.20,16:24:20:18.22.17,16:17:25.24.23:20,(24.33,-20.76,;23,-20,;21.66,-20.77,;21.67,-22.31,;20.32,-20,;18.99,-20.77,;17.66,-20,;17.66,-18.46,;16.32,-17.69,;14.99,-18.46,;13.66,-17.69,;12.32,-18.46,;12.32,-20,;10.99,-17.69,;10.99,-16.15,;9.53,-18.36,;8.19,-17.58,;6.69,-17.88,;5.81,-16.56,;5.98,-14.94,;5.12,-16.1,;5.96,-17.34,;5.67,-19.08,;7.35,-17.01,;8.32,-15.93,;7.48,-14.65,;18.98,-17.69,;20.32,-18.45,)| Show InChI InChI=1S/C21H26N2O5/c1-27-21(26)15-4-2-12(3-5-15)11-28-23-20(25)19(24)22-18-16-7-13-6-14(9-16)10-17(18)8-13/h2-5,13-14,16-18H,6-11H2,1H3,(H,22,24)(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445088 (CHEMBL3103804) Show SMILES Clc1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:15:16:13.14.19:20,12:13:15.16.22:19.18.20,12:13:16.22.17:20,THB:15:14:16.22.17:20,17:16:13:19.18.20,17:18:13:15.16.22,(55.39,-13.26,;54.06,-12.49,;52.72,-13.26,;51.39,-12.49,;51.39,-10.95,;50.06,-10.18,;48.72,-10.95,;47.39,-10.18,;46.06,-10.95,;46.06,-12.49,;44.72,-10.18,;44.72,-8.64,;43.39,-10.95,;42.05,-10.18,;40.65,-9.61,;39.15,-10.03,;40.35,-8.75,;40.34,-7.27,;41.69,-6.79,;40.65,-8.03,;43.08,-7.37,;43.07,-8.9,;41.67,-9.24,;52.72,-10.18,;54.05,-10.94,)| Show InChI InChI=1S/C19H23ClN2O3/c20-16-3-1-11(2-4-16)10-25-22-19(24)18(23)21-17-14-6-12-5-13(8-14)9-15(17)7-12/h1-4,12-15,17H,5-10H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445087 (CHEMBL3103807) Show SMILES CN(OCc1ccccc1)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:17:18:15.16.21:22,14:15:18.24.19:22,THB:17:16:18.24.19:22,19:18:15:21.20.22,19:20:15:17.18.24,(29.29,-15.01,;29.29,-16.55,;30.62,-17.32,;31.96,-16.55,;33.29,-17.32,;33.29,-18.86,;34.62,-19.63,;35.96,-18.86,;35.95,-17.31,;34.62,-16.55,;27.96,-17.32,;27.96,-18.87,;26.62,-16.55,;26.62,-15.01,;25.29,-17.32,;23.96,-16.55,;22.5,-16.97,;21.58,-18.23,;21.73,-16.49,;20.8,-15.33,;21.57,-14.12,;21.52,-15.73,;23.02,-13.71,;23.96,-14.91,;23.08,-16.05,)| Show InChI InChI=1S/C20H26N2O3/c1-22(25-12-13-5-3-2-4-6-13)20(24)19(23)21-18-16-8-14-7-15(10-16)11-17(18)9-14/h2-6,14-18H,7-12H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445086 (CHEMBL3103805) Show SMILES O=C(NOCCc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:14:15:17.18.24:21.20.22,14:15:18.24.19:22,17:18:15.16.21:22,THB:19:18:15:21.20.22,19:20:15:17.18.24,17:16:18.24.19:22,(63.57,-13.45,;63.57,-11.91,;64.91,-11.14,;66.25,-11.91,;67.58,-11.14,;68.92,-11.91,;70.25,-11.13,;71.58,-11.91,;72.91,-11.13,;72.91,-9.59,;71.56,-8.83,;70.24,-9.61,;62.24,-11.14,;62.24,-9.59,;60.9,-11.91,;59.56,-11.14,;58.16,-10.56,;56.65,-10.99,;57.85,-9.71,;57.84,-8.22,;59.19,-7.74,;58.15,-8.98,;60.59,-8.32,;60.58,-9.85,;59.18,-10.2,)| Show InChI InChI=1S/C20H26N2O3/c23-19(20(24)22-25-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445077 (CHEMBL3103810) Show SMILES O=C(CNC1C2CC3CC(C2)CC1C3)NOCc1ccccc1 |TLB:3:4:7.13.8:11,6:7:4.5.10:11,THB:8:7:4:10.9.11,8:9:4:6.7.13,6:5:7.13.8:11,(5.07,-23.98,;5.07,-22.44,;3.73,-21.67,;2.4,-22.44,;1.06,-21.66,;-.39,-22.1,;-1.29,-23.37,;-1.17,-21.62,;-2.12,-20.47,;-1.37,-19.25,;-1.4,-20.87,;.1,-18.83,;1.05,-20.02,;.18,-21.17,;6.4,-21.67,;7.73,-22.44,;9.07,-21.67,;10.4,-22.44,;10.4,-23.98,;11.73,-24.75,;13.07,-23.98,;13.07,-22.43,;11.73,-21.66,)| Show InChI InChI=1S/C19H26N2O2/c22-18(21-23-12-13-4-2-1-3-5-13)11-20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17,19-20H,6-12H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445078 (CHEMBL3103809) Show SMILES O=C(NOC1CCCCO1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:12:13:16.22.17:20,15:16:13.14.19:20,THB:17:16:13:19.18.20,17:18:13:15.16.22,15:14:16.22.17:20,(61.25,-19.21,;61.25,-17.67,;62.58,-16.9,;63.92,-17.67,;65.25,-16.9,;65.24,-15.36,;66.58,-14.59,;67.92,-15.37,;67.91,-16.91,;66.58,-17.67,;59.91,-16.9,;59.91,-15.36,;58.58,-17.67,;57.25,-16.89,;55.8,-17.31,;54.88,-18.57,;55.03,-16.83,;54.1,-15.67,;54.86,-14.46,;54.81,-16.07,;56.32,-14.05,;57.25,-15.26,;56.37,-16.39,)| Show InChI InChI=1S/C17H26N2O4/c20-16(17(21)19-23-14-3-1-2-4-22-14)18-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,1-9H2,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445079 (CHEMBL3103808) Show SMILES CON(C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:8:9:11.12.18:15.14.16,8:9:12.18.13:16,11:12:9.10.15:16,THB:13:12:9:15.14.16,13:14:9:11.12.18,11:10:12.18.13:16,(49.87,-17.13,;48.54,-17.9,;47.21,-17.13,;47.21,-15.59,;45.87,-17.9,;45.87,-19.44,;44.54,-17.13,;44.54,-15.59,;43.2,-17.9,;41.87,-17.13,;40.42,-17.55,;39.5,-18.81,;39.65,-17.06,;38.72,-15.9,;39.48,-14.69,;39.43,-16.31,;40.94,-14.28,;41.88,-15.49,;41,-16.63,)| Show InChI InChI=1S/C14H22N2O3/c1-16(19-2)14(18)13(17)15-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,3-7H2,1-2H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445080 (CHEMBL3103803) Show SMILES [O-][N+](=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:21:20:24:17.16.15,21:16:24:20.22.19,THB:14:15:17:20.19.21,14:15:24:20.22.19,22:20:17:24.23.15,22:23:17:20.19.21,15:23:19:17.21.16,15:16:24.23.22:19,(26.07,-16.47,;26.07,-14.93,;27.4,-14.15,;24.72,-14.16,;23.38,-14.93,;22.05,-14.16,;22.05,-12.62,;20.71,-11.85,;19.38,-12.62,;18.05,-11.85,;16.72,-12.62,;16.72,-14.16,;15.38,-11.85,;15.38,-10.31,;13.92,-12.52,;12.58,-11.75,;11.15,-12.28,;10.07,-11.1,;10,-9.48,;9.33,-10.76,;10.34,-11.85,;10.34,-13.61,;11.67,-11.31,;12.46,-10.1,;11.42,-8.96,;23.38,-11.85,;24.71,-12.61,)| Show InChI InChI=1S/C19H23N3O5/c23-18(20-17-14-6-12-5-13(8-14)9-15(17)7-12)19(24)21-27-10-11-1-3-16(4-2-11)22(25)26/h1-4,12-15,17H,5-10H2,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445081 (CHEMBL3103801) Show SMILES O=C(NOc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:12:13:15.16.22:19.18.20,12:13:16.22.17:20,15:16:13.14.19:20,THB:17:16:13:19.18.20,17:18:13:15.16.22,15:14:16.22.17:20,(64.55,-5.84,;64.55,-4.3,;65.88,-3.53,;67.22,-4.3,;68.55,-3.53,;69.88,-4.31,;71.22,-3.54,;71.22,-1.99,;69.87,-1.22,;68.55,-2,;63.22,-3.53,;63.22,-1.99,;61.88,-4.3,;60.55,-3.53,;59.06,-3.83,;58.05,-5.01,;58.33,-3.29,;57.5,-2.05,;58.36,-.91,;58.18,-2.51,;59.84,-.61,;60.68,-1.89,;59.71,-2.96,)| Show InChI InChI=1S/C18H22N2O3/c21-17(18(22)20-23-15-4-2-1-3-5-15)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16H,6-10H2,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445082 (CHEMBL3103798) Show SMILES O=C(NOCc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.15.21:22,THB:17:16:18.23.19:22,19:18:15:21.20.22,19:20:17.18.23:15| Show InChI InChI=1S/C19H24N2O3/c22-17(18(23)21-24-12-13-4-2-1-3-5-13)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h1-5,14-16H,6-12H2,(H,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50445083 (CHEMBL3103797) Show SMILES O=C(NCCCc1ccccc1)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C18H20N2O3/c21-17(19-13-7-12-15-8-3-1-4-9-15)18(22)20-23-14-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ehime University Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated fo...				Bioorg Med Chem 22: 1163-75 (2014) Article DOI: 10.1016/j.bmc.2013.12.027 BindingDB Entry DOI: 10.7270/Q2CC1258
					More data for this Ligand-Target Pair