Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50043084   

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))	BDBM50435764 (CHEMBL2392692) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435765 (CHEMBL2392691) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O2/c1-12-26-18(24-2)28-19(27-12)29-8-6-13(7-9-29)17(30)25-11-14-4-5-15(31-3)10-16(14)20(21,22)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435757 (CHEMBL2392694) Show SMILES CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C24H25F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h2-10,17H,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435753 (CHEMBL2392698) Show SMILES COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O2/c1-14-27-19(25-9-12-32-2)29-20(28-14)30-10-7-15(8-11-30)18(31)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,15H,7-13H2,1-2H3,(H,26,31)(H,25,27,28,29)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435755 (CHEMBL2392696) Show SMILES CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O/c1-13(2)26-19-27-14(3)28-20(29-19)30-10-8-15(9-11-30)18(31)25-12-16-6-4-5-7-17(16)21(22,23)24/h4-7,13,15H,8-12H2,1-3H3,(H,25,31)(H,26,27,28,29)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435754 (CHEMBL2392697) Show SMILES Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435745 (CHEMBL2392706) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC(F)(F)F Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435753 (CHEMBL2392698) Show SMILES COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O2/c1-14-27-19(25-9-12-32-2)29-20(28-14)30-10-7-15(8-11-30)18(31)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,15H,7-13H2,1-2H3,(H,26,31)(H,25,27,28,29)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435758 (CHEMBL2392693) Show SMILES CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCCC1 Show InChI InChI=1S/C24H31F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435756 (CHEMBL2392695) Show SMILES CN(C)c1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O/c1-13-25-18(28(2)3)27-19(26-13)29-10-8-14(9-11-29)17(30)24-12-15-6-4-5-7-16(15)20(21,22)23/h4-7,14H,8-12H2,1-3H3,(H,24,30)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435765 (CHEMBL2392691) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O2/c1-12-26-18(24-2)28-19(27-12)29-8-6-13(7-9-29)17(30)25-11-14-4-5-15(31-3)10-16(14)20(21,22)23/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Rattus norvegicus)	BDBM50435764 (CHEMBL2392692) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of rat soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prior ...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435754 (CHEMBL2392697) Show SMILES Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435745 (CHEMBL2392706) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC(F)(F)F Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)30-19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435764 (CHEMBL2392692) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C19H22BrF3N6O2/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)31-19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435760 (CHEMBL2392714) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H23F3N6O/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435738 (CHEMBL2392690) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(F)cc1C(F)(F)F Show InChI InChI=1S/C19H22F4N6O/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435759 (CHEMBL2392715) Show SMILES CCc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O/c1-3-16-26-18(24-2)28-19(27-16)29-10-8-13(9-11-29)17(30)25-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,13H,3,8-12H2,1-2H3,(H,25,30)(H,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435750 (CHEMBL2392701) Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435755 (CHEMBL2392696) Show SMILES CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O/c1-13(2)26-19-27-14(3)28-20(29-19)30-10-8-15(9-11-30)18(31)25-12-16-6-4-5-7-17(16)21(22,23)24/h4-7,13,15H,8-12H2,1-3H3,(H,25,31)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435747 (CHEMBL2392704) Show SMILES CNc1cc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H25F3N4O/c1-14-11-18(25-2)27-19(12-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435756 (CHEMBL2392695) Show SMILES CN(C)c1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O/c1-13-25-18(28(2)3)27-19(26-13)29-10-8-14(9-11-29)17(30)24-12-15-6-4-5-7-16(15)20(21,22)23/h4-7,14H,8-12H2,1-3H3,(H,24,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435762 (CHEMBL2392712) Show SMILES CNc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H24F3N7O/c1-23-16-26-17(24-2)28-18(27-16)29-9-7-12(8-10-29)15(30)25-11-13-5-3-4-6-14(13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,25,30)(H2,23,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435746 (CHEMBL2392705) Show SMILES CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O/c1-15-11-18(26-2)13-19(12-15)28-9-7-16(8-10-28)21(29)27-14-17-5-3-4-6-20(17)22(23,24)25/h3-6,11-13,16,26H,7-10,14H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435752 (CHEMBL2392699) Show SMILES CNc1nc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O/c1-13-11-17(27-19(24-2)26-13)28-9-7-14(8-10-28)18(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435763 (CHEMBL2392711) Show SMILES CNc1nc(nc(n1)N1CCN(C)CC1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C23H31F3N8O/c1-27-20-29-21(31-22(30-20)34-13-11-32(2)12-14-34)33-9-7-16(8-10-33)19(35)28-15-17-5-3-4-6-18(17)23(24,25)26/h3-6,16H,7-15H2,1-2H3,(H,28,35)(H,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435738 (CHEMBL2392690) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(F)cc1C(F)(F)F Show InChI InChI=1S/C19H22F4N6O/c1-11-26-17(24-2)28-18(27-11)29-7-5-12(6-8-29)16(30)25-10-13-3-4-14(20)9-15(13)19(21,22)23/h3-4,9,12H,5-8,10H2,1-2H3,(H,25,30)(H,24,26,27,28)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435757 (CHEMBL2392694) Show SMILES CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C24H25F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h2-10,17H,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435758 (CHEMBL2392693) Show SMILES CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)C1CCCCC1 Show InChI InChI=1S/C24H31F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435761 (CHEMBL2392713) Show SMILES CNc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N(C)CCN(C)C Show InChI InChI=1S/C23H33F3N8O/c1-27-20-29-21(33(4)14-13-32(2)3)31-22(30-20)34-11-9-16(10-12-34)19(35)28-15-17-7-5-6-8-18(17)23(24,25)26/h5-8,16H,9-15H2,1-4H3,(H,28,35)(H,27,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435739 (CHEMBL2392689) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C#N Show InChI InChI=1S/C19H23N7O/c1-13-23-18(21-2)25-19(24-13)26-9-7-14(8-10-26)17(27)22-12-16-6-4-3-5-15(16)11-20/h3-6,14H,7-10,12H2,1-2H3,(H,22,27)(H,21,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435759 (CHEMBL2392715) Show SMILES CCc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H25F3N6O/c1-3-16-26-18(24-2)28-19(27-16)29-10-8-13(9-11-29)17(30)25-12-14-6-4-5-7-15(14)20(21,22)23/h4-7,13H,3,8-12H2,1-2H3,(H,25,30)(H,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435750 (CHEMBL2392701) Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435760 (CHEMBL2392714) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H23F3N6O/c1-12-25-17(23-2)27-18(26-12)28-9-7-13(8-10-28)16(29)24-11-14-5-3-4-6-15(14)19(20,21)22/h3-6,13H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435762 (CHEMBL2392712) Show SMILES CNc1nc(NC)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C19H24F3N7O/c1-23-16-26-17(24-2)28-18(27-16)29-9-7-12(8-10-29)15(30)25-11-13-5-3-4-6-14(13)19(20,21)22/h3-6,12H,7-11H2,1-2H3,(H,25,30)(H2,23,24,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435747 (CHEMBL2392704) Show SMILES CNc1cc(C)cc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H25F3N4O/c1-14-11-18(25-2)27-19(12-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase overexpressed in HEK293F cells using EET as substrate assessed as formation of DHET incubated for 30 mi...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435749 (CHEMBL2392702) Show SMILES CNc1cc(cc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H25F3N4O/c1-14-11-17(12-19(25-2)27-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-18(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435751 (CHEMBL2392700) Show SMILES CNc1cc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O/c1-13-11-17(24-2)27-19(26-13)28-9-7-14(8-10-28)18(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435740 (CHEMBL2392688) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C18H24N6O/c1-13-21-17(19-2)23-18(22-13)24-10-8-15(9-11-24)16(25)20-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,20,25)(H,19,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435744 (CHEMBL2392707) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C Show InChI InChI=1S/C19H26N6O/c1-13-6-4-5-7-16(13)12-21-17(26)15-8-10-25(11-9-15)19-23-14(2)22-18(20-3)24-19/h4-7,15H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435754 (CHEMBL2392697) Show SMILES Cc1nc(nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C22H27F3N6O2/c1-15-27-20(29-21(28-15)31-10-12-33-13-11-31)30-8-6-16(7-9-30)19(32)26-14-17-4-2-3-5-18(17)22(23,24)25/h2-5,16H,6-14H2,1H3,(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435755 (CHEMBL2392696) Show SMILES CC(C)Nc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O/c1-13(2)26-19-27-14(3)28-20(29-19)30-10-8-15(9-11-30)18(31)25-12-16-6-4-5-7-17(16)21(22,23)24/h4-7,13,15H,8-12H2,1-3H3,(H,25,31)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435741 (CHEMBL2392710) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-9-7-14(8-10-28)16(29)24-11-13-3-5-15(6-4-13)30-19(20,21)22/h3-6,14H,7-11H2,1-2H3,(H,24,29)(H,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435742 (CHEMBL2392709) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H23F3N6O2/c1-12-25-17(23-2)27-18(26-12)28-8-6-14(7-9-28)16(29)24-11-13-4-3-5-15(10-13)30-19(20,21)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,24,29)(H,23,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435750 (CHEMBL2392701) Show SMILES CNc1cc(nc(C)n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C20H24F3N5O/c1-13-26-17(24-2)11-18(27-13)28-9-7-14(8-10-28)19(29)25-12-15-5-3-4-6-16(15)20(21,22)23/h3-6,11,14H,7-10,12H2,1-2H3,(H,25,29)(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435748 (CHEMBL2392703) Show SMILES CNc1cc(C)nc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H25F3N4O/c1-14-11-17(25-2)12-19(27-14)28-9-7-15(8-10-28)20(29)26-13-16-5-3-4-6-18(16)21(22,23)24/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,25,27)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435743 (CHEMBL2392708) Show SMILES CNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1OC Show InChI InChI=1S/C19H26N6O2/c1-13-22-18(20-2)24-19(23-13)25-10-8-14(9-11-25)17(26)21-12-15-6-4-5-7-16(15)27-3/h4-7,14H,8-12H2,1-3H3,(H,21,26)(H,20,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435753 (CHEMBL2392698) Show SMILES COCCNc1nc(C)nc(n1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C21H27F3N6O2/c1-14-27-19(25-9-12-32-2)29-20(28-14)30-10-7-15(8-11-30)18(31)26-13-16-5-3-4-6-17(16)21(22,23)24/h3-6,15H,7-13H2,1-2H3,(H,26,31)(H,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435757 (CHEMBL2392694) Show SMILES CNc1nc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C24H25F3N6O/c1-28-22-30-20(16-7-3-2-4-8-16)31-23(32-22)33-13-11-17(12-14-33)21(34)29-15-18-9-5-6-10-19(18)24(25,26)27/h2-10,17H,11-15H2,1H3,(H,29,34)(H,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435746 (CHEMBL2392705) Show SMILES CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O/c1-15-11-18(26-2)13-19(12-15)28-9-7-16(8-10-28)21(29)27-14-17-5-3-4-6-20(17)22(23,24)25/h3-6,11-13,16,26H,7-10,14H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair

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