Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50198811'   

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))	BDBM50198811 (4-(7-(2,6-dimethylphenyl)-6-methylbenzo[e][1,2,4]t...) Show SMILES Cc1cccc(C)c1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C |(-5.05,5.05,;-6.38,4.28,;-7.71,5.05,;-9.05,4.28,;-9.04,2.74,;-7.71,1.97,;-7.71,.43,;-6.38,2.75,;-5.05,1.97,;-3.72,2.74,;-2.39,1.98,;-1.05,2.77,;.3,1.99,;.31,.43,;1.65,-.33,;2.98,.44,;4.31,-.33,;5.64,.44,;5.63,1.99,;4.29,2.75,;2.96,1.97,;6.96,2.76,;6.19,4.09,;7.73,1.43,;8.3,3.53,;9.63,2.75,;10.97,3.52,;12.3,2.75,;12.46,1.23,;13.97,.91,;14.74,2.24,;13.71,3.39,;-1.03,-.34,;-2.38,.43,;-3.72,-.34,;-5.05,.43,;-6.38,-.34,)| Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)27(19)24-18-26-25(17-21(24)3)31-28(33-32-26)30-22-9-11-23(12-10-22)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10.5	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
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50198811 (4-(7-(2,6-dimethylphenyl)-6-methylbenzo[e][1,2,4]t...) Show SMILES Cc1cccc(C)c1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C |(-5.05,5.05,;-6.38,4.28,;-7.71,5.05,;-9.05,4.28,;-9.04,2.74,;-7.71,1.97,;-7.71,.43,;-6.38,2.75,;-5.05,1.97,;-3.72,2.74,;-2.39,1.98,;-1.05,2.77,;.3,1.99,;.31,.43,;1.65,-.33,;2.98,.44,;4.31,-.33,;5.64,.44,;5.63,1.99,;4.29,2.75,;2.96,1.97,;6.96,2.76,;6.19,4.09,;7.73,1.43,;8.3,3.53,;9.63,2.75,;10.97,3.52,;12.3,2.75,;12.46,1.23,;13.97,.91,;14.74,2.24,;13.71,3.39,;-1.03,-.34,;-2.38,.43,;-3.72,-.34,;-5.05,.43,;-6.38,-.34,)| Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)27(19)24-18-26-25(17-21(24)3)31-28(33-32-26)30-22-9-11-23(12-10-22)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TargeGen, Inc. Curated by ChEMBL					Assay Description Inhibition of Src				Bioorg Med Chem Lett 17: 602-8 (2007) Article DOI: 10.1016/j.bmcl.2006.11.006 BindingDB Entry DOI: 10.7270/Q29024MW
					More data for this Ligand-Target Pair