Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50267618'   

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))	BDBM50267618 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(2-metho...) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-31-7-8-32-20-11-18-14(10-19(20)29-22(30)17-3-2-6-25-17)21(27-12-26-18)28-13-4-5-16(24)15(23)9-13/h4-5,9-12,17,25H,2-3,6-8H2,1H3,(H,29,30)(H,26,27,28)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of Src kinase (unknown origin)				Bioorg Med Chem 17: 3152-61 (2009) Article DOI: 10.1016/j.bmc.2009.02.054 BindingDB Entry DOI: 10.7270/Q2V9880T
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