Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50351235'   

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))	BDBM50351235 (CHEMBL1818397) Show SMILES Cc1c(Cl)cccc1NC(=O)NC1C2CC3CC(C2)CC1C3 |TLB:21:20:18:14.15.16,THB:11:12:18:14.15.16,21:15:12.20.19:18,16:15:12:19.17.18,16:17:12:14.21.15,(11.42,-36.57,;11.42,-35.03,;10.08,-34.26,;8.75,-35.03,;10.09,-32.71,;11.41,-31.94,;12.75,-32.71,;12.75,-34.26,;14.09,-35.02,;15.42,-34.25,;15.42,-32.71,;16.76,-35.02,;18.09,-34.25,;19.29,-32.97,;20.61,-33.46,;22,-33.12,;22.02,-31.59,;20.62,-31.01,;19.28,-31.49,;19.58,-32.24,;19.58,-33.83,;21,-34.39,)| Show InChI InChI=1S/C18H23ClN2O/c1-10-15(19)3-2-4-16(10)20-18(22)21-17-13-6-11-5-12(8-13)9-14(17)7-11/h2-4,11-14,17H,5-9H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
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