Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50444531'   

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))	BDBM50444531 (CHEMBL3099680) Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 |TLB:21:22:25.20.19:26,THB:21:20:27.22.23:26,19:20:23:27.18.26,19:18:23:21.25.20,16:18:23:21.25.20| Show InChI InChI=1S/C26H27N3O2S/c30-22-7-5-21(6-8-22)28-25-29-23(15-32-25)19-1-3-20(4-2-19)27-24(31)26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18,30H,9-14H2,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Curated by ChEMBL					Assay Description Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME as substrate incubated 15 mins prior to substrate addition measured ...				ACS Med Chem Lett 4: 1169-72 (2013) Article DOI: 10.1021/ml4002562 BindingDB Entry DOI: 10.7270/Q228092M
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