Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-B receptor 2' and Ligand = 'BDBM50341628'   

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
Ephrin type-B receptor 2 (Homo sapiens (Human))	BDBM50341628 (3-(4-Acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-...) Show SMILES CC(=O)N1CCN(CC1)c1cnc2cc(cc(NCc3cccc(c3)[N+]([O-])=O)c2c1)C(F)(F)F Show InChI InChI=1S/C23H22F3N5O3/c1-15(32)29-5-7-30(8-6-29)19-12-20-21(10-17(23(24,25)26)11-22(20)28-14-19)27-13-16-3-2-4-18(9-16)31(33)34/h2-4,9-12,14,27H,5-8,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of EPH-B2				J Med Chem 54: 2127-42 (2011) Article DOI: 10.1021/jm101340q BindingDB Entry DOI: 10.7270/Q2DR2VTS
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