Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50102875'   

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))	BDBM50102875 (CHEMBL3394078) Show SMILES CCSc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C22H23N5OS/c1-3-29-22-25-20(24-17-10-7-11-18(28)12-17)19-13-23-27(21(19)26-22)14-15(2)16-8-5-4-6-9-16/h4-13,15,28H,3,14H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Via Aldo Moro 2 Curated by ChEMBL					Assay Description Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP				J Med Chem 58: 347-61 (2015) Article DOI: 10.1021/jm5013159 BindingDB Entry DOI: 10.7270/Q2416ZTT
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