Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM97940'   

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))	BDBM97940 (US8481536, 510) Show SMILES Cc1cc(cc2nnc(Nc3ccc(nc3)N3CCN(CCO)CC3)nc12)-c1cc(O)ccc1Cl Show InChI InChI=1S/C25H26ClN7O2/c1-16-12-17(20-14-19(35)3-4-21(20)26)13-22-24(16)29-25(31-30-22)28-18-2-5-23(27-15-18)33-8-6-32(7-9-33)10-11-34/h2-5,12-15,34-35H,6-11H2,1H3,(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	25
TargeGen, Inc. US Patent					Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.				US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ
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