Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM3474'   

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 (Gallus gallus (Chicken))	BDBM3474 (1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-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,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.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,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C28H36Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h5,9-10,17-18,20H,2-4,6-8,11-16H2,1H3,(H3,31,32,33,34,35,36,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of chicken c-Src tyrosine kinase				J Med Chem 41: 1752-63 (1998) Article DOI: 10.1021/jm970634p BindingDB Entry DOI: 10.7270/Q26T0KQ6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3474 (1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...) Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-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,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.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,;-10.64,-.15,;-12.01,-.86,)| Show InChI InChI=1S/C28H36Cl2N8O/c1-37-13-15-38(16-14-37)12-6-11-31-27-32-18-19-17-21(24-22(29)9-5-10-23(24)30)26(34-25(19)35-27)36-28(39)33-20-7-3-2-4-8-20/h5,9-10,17-18,20H,2-4,6-8,11-16H2,1H3,(H3,31,32,33,34,35,36,39)	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
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