Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043127   

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))	BDBM50436431 (CHEMBL2397149 | US9029401, 2576) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccn1 Show InChI InChI=1S/C21H17F3N4O4/c1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24/h2-12H,1H3,(H,25,29)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436432 (CHEMBL2397136 | US9029401, 2287) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)ccn1 |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/C24H28N4O3/c1-25-22(29)21-11-20(6-7-26-21)31-19-4-2-18(3-5-19)27-23(30)28-24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,25,29)(H2,27,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50363397 (CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436443 (CHEMBL2397141) Show SMILES CNC(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:8.7,wD:11.14,(37.86,-12.31,;37.86,-10.77,;36.53,-10,;36.53,-8.46,;35.19,-10.77,;33.86,-10.01,;32.53,-10.77,;31.2,-10,;29.87,-10.76,;29.87,-12.3,;28.54,-13.07,;27.21,-12.3,;27.21,-10.76,;28.54,-9.99,;25.87,-13.08,;24.54,-12.31,;24.54,-10.77,;23.21,-13.08,;21.87,-12.31,;20.55,-13.08,;19.22,-12.32,;19.21,-10.77,;17.87,-10.01,;20.54,-10,;21.88,-10.77,;20.54,-8.46,;21.87,-7.69,;19.21,-7.69,;20.53,-6.91,;32.53,-12.31,;33.86,-13.09,;35.19,-12.32,)| Show InChI InChI=1S/C21H22ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31)/t12-,14-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436442 (CHEMBL2397142) Show SMILES CN(C)C(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wU:9.8,wD:12.15,(56.74,-18.18,;56.74,-16.64,;58.08,-15.87,;55.41,-15.86,;54.07,-16.63,;55.42,-14.32,;54.09,-13.55,;54.09,-12.01,;52.76,-11.24,;51.43,-12,;51.43,-13.54,;50.1,-14.3,;48.77,-13.54,;48.77,-12,;50.1,-11.22,;47.44,-14.31,;46.1,-13.55,;46.1,-12.01,;44.77,-14.32,;43.43,-13.55,;42.11,-14.32,;40.78,-13.56,;40.77,-12.01,;39.43,-11.24,;42.1,-11.24,;43.44,-12.01,;42.1,-9.7,;43.44,-8.93,;40.77,-8.93,;42.09,-8.15,;55.42,-11.24,;56.75,-12.01,;56.75,-13.56,)| Show InChI InChI=1S/C22H24ClF3N4O3/c1-30(2)20(31)19-12-16(9-10-27-19)33-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26/h5,8-13,15H,3-4,6-7H2,1-2H3,(H2,28,29,32)/t13-,15-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436441 (CHEMBL2397143 | US9029401, 2575) Show SMILES CNC(=O)c1cc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1 |r,wU:8.7,wD:11.14,(16.58,-24.39,;16.58,-22.85,;15.25,-22.08,;13.92,-22.84,;15.26,-20.54,;13.93,-19.77,;13.94,-18.22,;12.6,-17.45,;11.27,-18.22,;11.27,-19.76,;9.94,-20.52,;8.61,-19.76,;8.61,-18.22,;9.94,-17.44,;7.28,-20.53,;5.94,-19.76,;5.94,-18.22,;4.61,-20.53,;3.28,-19.76,;3.28,-18.22,;1.95,-17.45,;.61,-18.23,;-.72,-17.46,;-.74,-15.92,;-2.06,-15.15,;.61,-15.15,;-.74,-14.37,;.62,-19.77,;1.95,-20.53,;15.26,-17.46,;16.6,-18.22,;16.6,-19.77,)| Show InChI InChI=1S/C21H23F3N4O4/c1-25-19(29)18-12-17(10-11-26-18)31-15-6-2-13(3-7-15)27-20(30)28-14-4-8-16(9-5-14)32-21(22,23)24/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,25,29)(H2,27,28,30)/t13-,15-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436438 (CHEMBL2397146 | US9029401, 2316) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cn1 |r,wU:9.8,wD:12.15,(21.22,-29.7,;19.89,-28.92,;18.55,-29.69,;18.55,-31.23,;17.22,-28.92,;15.88,-29.69,;14.55,-28.91,;14.56,-27.37,;13.23,-26.6,;11.89,-27.36,;11.89,-28.9,;10.56,-29.66,;9.23,-28.9,;9.23,-27.36,;10.56,-26.58,;7.9,-29.67,;6.56,-28.91,;6.56,-27.37,;5.23,-29.68,;3.9,-28.91,;2.58,-29.68,;1.24,-28.92,;1.23,-27.37,;-.12,-26.61,;2.57,-26.6,;3.9,-27.37,;2.57,-25.06,;3.9,-24.29,;1.23,-24.29,;2.55,-23.51,;15.89,-26.61,;17.22,-27.37,)| Show InChI InChI=1S/C21H22ClF3N4O3/c1-26-19(30)18-9-7-15(11-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-8-17(22)16(10-13)21(23,24)25/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31)/t12-,14-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436437 (CHEMBL2397147) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:8.7,wD:11.14,(40.21,-31.34,;40.22,-29.8,;41.55,-29.03,;38.88,-29.03,;37.54,-29.79,;36.21,-29.02,;36.22,-27.48,;34.89,-26.7,;33.55,-27.47,;33.55,-29.01,;32.22,-29.77,;30.89,-29.01,;30.89,-27.47,;32.22,-26.69,;29.56,-29.78,;28.23,-29.01,;28.22,-27.47,;26.89,-29.79,;25.56,-29.02,;24.24,-29.79,;22.9,-29.03,;22.89,-27.48,;21.56,-26.71,;24.23,-26.71,;25.56,-27.48,;24.23,-25.17,;25.56,-24.4,;22.89,-24.4,;24.21,-23.62,;37.55,-26.71,;38.88,-27.48,)| Show InChI InChI=1S/C21H20ClF3N2O4/c22-18-10-5-14(11-17(18)21(23,24)25)27-20(30)26-13-3-8-16(9-4-13)31-15-6-1-12(2-7-15)19(28)29/h1-2,5-7,10-11,13,16H,3-4,8-9H2,(H,28,29)(H2,26,27,30)/t13-,16-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436436 (CHEMBL2397140) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 |r,wU:9.8,wD:12.15,(44.32,-36.77,;42.99,-36,;41.66,-36.77,;41.66,-38.31,;40.33,-36,;38.99,-36.76,;37.66,-35.99,;37.67,-34.45,;36.33,-33.67,;35,-34.44,;35,-35.98,;33.67,-36.74,;32.34,-35.98,;32.34,-34.44,;33.67,-33.66,;31.01,-36.75,;29.67,-35.98,;29.67,-34.44,;28.34,-36.76,;27.01,-35.99,;25.68,-36.76,;24.35,-36,;24.34,-34.45,;23.01,-33.68,;25.68,-33.68,;27.01,-34.45,;25.67,-32.14,;27.01,-31.37,;24.34,-31.37,;25.66,-30.59,;38.99,-33.68,;40.32,-34.45,)| Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-2-7-16(8-3-13)32-17-9-4-14(5-10-17)28-21(31)29-15-6-11-19(23)18(12-15)22(24,25)26/h2-3,6-8,11-12,14,17H,4-5,9-10H2,1H3,(H,27,30)(H2,28,29,31)/t14-,17-	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436433 (CHEMBL2397137) Show SMILES CNC(=O)c1cc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:8.7,11.14,(22.06,-49.42,;20.73,-50.19,;19.39,-49.42,;19.39,-47.88,;18.06,-50.19,;16.73,-49.43,;15.4,-50.19,;14.07,-49.42,;12.73,-50.18,;12.73,-51.72,;11.4,-52.49,;10.07,-51.72,;10.07,-50.18,;11.4,-49.41,;8.74,-52.5,;7.4,-51.73,;7.4,-50.19,;6.07,-52.5,;4.74,-51.73,;3.42,-52.5,;2.08,-51.74,;2.07,-50.19,;.74,-49.43,;3.41,-49.42,;4.74,-50.19,;3.41,-47.88,;4.74,-47.11,;2.07,-47.11,;3.39,-46.33,;15.39,-51.73,;16.72,-52.51,;18.06,-51.74,)| Show InChI InChI=1S/C21H22ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)(H2,28,29,31)/t12-,14+	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436434 (CHEMBL2397138) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(42.37,-47.49,;41.03,-46.72,;41.04,-45.18,;42.37,-44.41,;39.7,-44.41,;38.36,-45.17,;37.03,-44.4,;37.04,-42.86,;35.71,-42.08,;34.37,-42.85,;34.37,-44.39,;33.04,-45.15,;31.71,-44.39,;31.71,-42.85,;33.04,-42.07,;30.38,-45.16,;29.04,-44.39,;29.04,-42.85,;27.71,-45.16,;26.38,-44.4,;26.38,-42.85,;25.05,-42.09,;23.71,-42.86,;22.38,-42.09,;22.37,-40.55,;21.04,-39.79,;23.7,-39.78,;22.36,-39.01,;23.72,-44.41,;25.05,-45.17,;38.37,-42.09,;39.7,-42.86,)| Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436435 (CHEMBL2397139 | US9029401, 2225) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |r,wU:9.8,wD:12.15,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(20.94,-45.42,;19.61,-44.65,;19.61,-43.11,;20.95,-42.34,;18.28,-42.34,;16.94,-43.1,;15.61,-42.33,;15.62,-40.79,;14.28,-40.01,;12.95,-40.78,;12.95,-42.32,;11.62,-43.08,;10.29,-42.32,;10.29,-40.78,;11.62,-40,;8.96,-43.09,;7.62,-42.32,;7.62,-40.78,;6.29,-43.09,;4.96,-42.33,;3.94,-43.6,;2.54,-43.04,;1.03,-43.46,;2.23,-42.18,;2.22,-40.7,;3.57,-40.22,;2.53,-41.45,;4.97,-40.8,;3.56,-42.67,;16.94,-40.02,;18.28,-40.79,)| Show InChI InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)/t16?,17?,18?,20-,22-,25?	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
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25741 (4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amin...) Show SMILES OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)| Show InChI InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436439 (CHEMBL2397145) Show SMILES CNC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r,wU:10.9,wD:13.16,(59.23,-22.43,;59.23,-20.89,;57.89,-20.12,;57.89,-18.58,;56.56,-20.89,;56.56,-22.44,;55.22,-23.21,;53.89,-22.43,;53.9,-20.89,;52.57,-20.12,;51.23,-20.88,;51.23,-22.42,;49.9,-23.19,;48.57,-22.42,;48.57,-20.88,;49.9,-20.11,;47.24,-23.2,;45.9,-22.43,;45.9,-20.89,;44.57,-23.2,;43.24,-22.43,;41.92,-23.2,;40.58,-22.44,;40.57,-20.89,;39.24,-20.13,;41.91,-20.12,;43.24,-20.89,;41.91,-18.58,;43.24,-17.81,;40.57,-17.81,;41.89,-17.03,;55.23,-20.13,)| Show InChI InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3,(H,27,30)(H2,28,29,31)/t14-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50217448 (CHEMBL242459 | US9029401, 1471 (t-AUCB) | trans-4-...) Show SMILES OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(19.63,-26.42,;18.81,-25.12,;19.53,-23.76,;17.27,-25.17,;16.54,-26.54,;15.01,-26.59,;14.19,-25.28,;12.65,-25.34,;11.93,-26.7,;12.75,-28.01,;12.03,-29.36,;10.48,-29.42,;9.67,-28.12,;10.39,-26.76,;9.77,-30.78,;8.23,-30.84,;7.41,-29.54,;7.51,-32.21,;5.97,-32.27,;4.96,-33.54,;3.55,-32.98,;2.06,-33.4,;3.25,-32.13,;3.24,-30.64,;4.59,-30.16,;3.55,-31.39,;5.99,-30.74,;4.58,-32.61,;14.91,-23.93,;16.44,-23.87,)| Show InChI InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15?,16?,17?,19-,21-,24?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25745 (3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluor...) Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50327809 (1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluorometho...) Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H20F3N3O3/c1-2-14(23)22-9-7-12(8-10-22)21-15(24)20-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50436440 (CHEMBL2397144) Show SMILES OC(=O)c1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 |r,wU:9.8,wD:12.15,(38.16,-18.44,;36.83,-17.67,;36.83,-16.13,;35.5,-18.44,;35.5,-19.99,;34.16,-20.76,;32.83,-19.98,;32.84,-18.44,;31.5,-17.67,;30.17,-18.43,;30.17,-19.97,;28.84,-20.74,;27.51,-19.97,;27.51,-18.43,;28.84,-17.66,;26.18,-20.75,;24.84,-19.98,;24.84,-18.44,;23.51,-20.75,;22.18,-19.98,;20.85,-20.75,;19.52,-19.99,;19.51,-18.44,;18.18,-17.68,;20.85,-17.67,;22.18,-18.44,;20.84,-16.13,;22.18,-15.36,;19.51,-15.36,;20.83,-14.58,;34.16,-17.68,)| Show InChI InChI=1S/C21H20ClF3N2O4/c22-18-9-6-14(11-17(18)21(23,24)25)27-20(30)26-13-4-7-15(8-5-13)31-16-3-1-2-12(10-16)19(28)29/h1-3,6,9-11,13,15H,4-5,7-8H2,(H,28,29)(H2,26,27,30)/t13-,15-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair