Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50321971'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50321971 (CHEMBL1173115 | N-(3-Nitrophenyl)-2-morpholino-9H-...) Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3nc[nH]c23)N2CCOCC2)c1 Show InChI InChI=1S/C15H15N7O3/c23-22(24)11-3-1-2-10(8-11)18-14-12-13(17-9-16-12)19-15(20-14)21-4-6-25-7-5-21/h1-3,8-9H,4-7H2,(H2,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition cSRC				Bioorg Med Chem 18: 4615-24 (2011) Article DOI: 10.1016/j.bmc.2010.05.032 BindingDB Entry DOI: 10.7270/Q26H4JCQ
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