Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM4195'   

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))	BDBM4195 (1,8-Naphthyridin-2(1H)-one deriv. 9e | 3-(2,6-Dich...) Show SMILES CCN(CC)CCCNc1ccc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-13.58,.31,;-13.19,-1.18,;-11.85,-1.95,;-11.85,-3.49,;-13.19,-4.26,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,;-1.18,-1.89,;-1.18,-3.43,;-2.52,-1.12,;-3.85,-1.95,)| Show InChI InChI=1S/C22H26Cl2N4O/c1-4-28(5-2)13-7-12-25-19-11-10-15-14-16(22(29)27(3)21(15)26-19)20-17(23)8-6-9-18(20)24/h6,8-11,14H,4-5,7,12-13H2,1-3H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 43: 3134-47 (2000) Article DOI: 10.1021/jm000148t BindingDB Entry DOI: 10.7270/Q2028PQ1
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