Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM3465'   

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))	BDBM3465 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Inhibition of C-src tyrosine kinase				J Med Chem 40: 2296-303 (1997) Article DOI: 10.1021/jm970367n BindingDB Entry DOI: 10.7270/Q2Z31XRR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3465 (3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					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 44: 1915-26 (2001) Article DOI: 10.1021/jm0004291 BindingDB Entry DOI: 10.7270/Q29K48DG
					More data for this Ligand-Target Pair