Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50244525'   

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))	BDBM50244525 (9-(2-chlorostyryl)-N-(4-(dimethylphosphoryl)phenyl...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4ccccc4Cl)cnc23)cc1 Show InChI InChI=1S/C21H19ClN5OP/c1-29(2,28)17-9-7-16(8-10-17)26-20-19-21(24-13-23-20)27(14-25-19)12-11-15-5-3-4-6-18(15)22/h3-14H,1-2H3,(H,23,24,26)/b12-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Src kinase by TR-FRET assay				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
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