Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50244388'   

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))	BDBM50244388 (CHEMBL488659 | N-(4-(dipropylphosphoryl)phenyl)-2-...) Show SMILES CCCP(=O)(CCC)c1ccc(Nc2nc(nc3n(\C=C/c4ccccc4)cnc23)C(C)C)cc1 Show InChI InChI=1S/C28H34N5OP/c1-5-18-35(34,19-6-2)24-14-12-23(13-15-24)30-27-25-28(32-26(31-27)21(3)4)33(20-29-25)17-16-22-10-8-7-9-11-22/h7-17,20-21H,5-6,18-19H2,1-4H3,(H,30,31,32)/b17-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	376	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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