Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50148694'   

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))	BDBM50148694 (4-[1-(2-Cyclopentylamino-pyrimidin-4-yl)-2-(3-trif...) Show SMILES CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Src				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
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