Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50321981'   

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))	BDBM50321981 (CHEMBL1173225 | N-(3-Nitrophenyl)-2-(4-(2-hydroxye...) Show SMILES OCCN1CCN(CC1)c1nc(Nc2cccc(c2)[N+]([O-])=O)c2[nH]cnc2n1 Show InChI InChI=1S/C17H20N8O3/c26-9-8-23-4-6-24(7-5-23)17-21-15-14(18-11-19-15)16(22-17)20-12-2-1-3-13(10-12)25(27)28/h1-3,10-11,26H,4-9H2,(H2,18,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	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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