Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50303234'   

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))	BDBM50303234 (CHEMBL565801 | N-(3-(6-(2,6-dichlorophenyl)-8-meth...) Show SMILES CC(=O)Nc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(11.58,-29.56,;12.91,-28.79,;12.92,-27.25,;14.25,-29.56,;15.58,-28.79,;15.58,-27.25,;16.91,-26.47,;18.25,-27.24,;18.25,-28.79,;19.59,-29.56,;20.92,-28.78,;20.91,-27.25,;22.24,-26.47,;23.58,-27.24,;24.91,-26.47,;26.24,-27.23,;27.56,-26.46,;27.55,-24.93,;26.21,-24.17,;28.88,-24.15,;30.22,-24.91,;30.23,-26.46,;28.9,-27.23,;28.9,-28.77,;26.24,-28.78,;27.58,-29.55,;24.91,-29.55,;24.91,-31.09,;23.58,-28.78,;22.25,-29.55,;16.92,-29.56,)| Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-14-5-3-6-15(10-14)27-22-25-11-13-9-16(21(31)29(2)20(13)28-22)19-17(23)7-4-8-18(19)24/h3-11H,1-2H3,(H,26,30)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of human recombinant Src				Bioorg Med Chem Lett 19: 6872-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.085 BindingDB Entry DOI: 10.7270/Q2R49QV4
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