Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM97963'   

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))	BDBM97963 (US8481536, 552) Show SMILES CN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(c(C)cc3n2)-c2cc(O)ccc2Cl)cc1 Show InChI InChI=1S/C27H29ClN6O3S/c1-18-15-25-26(17-22(18)23-16-20(35)7-10-24(23)28)31-32-27(30-25)29-19-5-8-21(9-6-19)38(36,37)33(2)13-14-34-11-3-4-12-34/h5-10,15-17,35H,3-4,11-14H2,1-2H3,(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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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