Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50566617'   

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))	BDBM50566617 (CHEMBL4851061) Show SMILES C[C@@H](CNc1nc(NCCc2ccccc2)nc(NC2CCC(CC2)C(=O)NCc2ccc(cc2)C(O)=O)n1)c1ccccc1 |r,wU:1.0,(25.02,-12.86,;25.02,-11.32,;23.68,-10.55,;22.35,-11.32,;21.02,-10.55,;21.02,-9,;19.67,-8.24,;19.67,-6.7,;21,-5.92,;20.99,-4.38,;22.32,-3.61,;23.66,-4.38,;24.99,-3.61,;24.99,-2.07,;23.64,-1.3,;22.32,-2.08,;18.35,-9.01,;18.35,-10.54,;17.02,-11.31,;15.69,-10.54,;14.35,-11.31,;13.02,-10.55,;13.02,-9.01,;14.35,-8.23,;15.68,-9,;11.68,-8.25,;11.68,-6.71,;10.35,-9.02,;9.02,-8.26,;7.69,-9.03,;7.69,-10.58,;6.35,-11.35,;5.02,-10.58,;5.02,-9.04,;6.35,-8.27,;3.69,-11.35,;2.35,-10.58,;3.68,-12.89,;19.68,-11.32,;26.35,-10.55,;27.68,-11.32,;29.01,-10.56,;29.02,-9.01,;27.67,-8.24,;26.34,-9.02,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using EnzChek as substrate preincubated with enzyme for 5 mins followed by substrate addition and measured every 30 secs for ...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116216 BindingDB Entry DOI: 10.7270/Q22J6GNB
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