Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (326/326 = 100%)† (Homo sapiens (Human))	BDBM50336822 (4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...) Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay				Bioorg Med Chem 22: 1548-57 (2014) Article DOI: 10.1016/j.bmc.2014.01.040 BindingDB Entry DOI: 10.7270/Q22F7PW9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2   (326/326 = 100%)† (Homo sapiens (Human))	BDBM50336822 (4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...) Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1	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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase in cell free system				J Med Chem 54: 851-7 (2012) Article DOI: 10.1021/jm101273e BindingDB Entry DOI: 10.7270/Q2M046F1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2   (326/326 = 100%)† (Homo sapiens (Human))	BDBM50336822 (4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,...) Show SMILES CC(C)c1noc(n1)C1CCN(CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c1-13(2)18-22-19(26-23-18)15-8-10-24(11-9-15)20(25)21-17-12-16(17)14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,21,25)/t16-,17+/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins				J Med Chem 54: 851-7 (2012) Article DOI: 10.1021/jm101273e BindingDB Entry DOI: 10.7270/Q2M046F1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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