Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50198789'   

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))	BDBM50198789 (4-(7-(4-fluoro-2-methylphenyl)-6-methylbenzo[e][1,...) Show SMILES Cc1cc(F)ccc1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C Show InChI InChI=1S/C27H29FN6O2S/c1-18-15-20(28)5-10-23(18)24-17-26-25(16-19(24)2)31-27(33-32-26)30-21-6-8-22(9-7-21)37(35,36)29-11-14-34-12-3-4-13-34/h5-10,15-17,29H,3-4,11-14H2,1-2H3,(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	20	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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50198789 (4-(7-(4-fluoro-2-methylphenyl)-6-methylbenzo[e][1,...) Show SMILES Cc1cc(F)ccc1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C Show InChI InChI=1S/C27H29FN6O2S/c1-18-15-20(28)5-10-23(18)24-17-26-25(16-19(24)2)31-27(33-32-26)30-21-6-8-22(9-7-21)37(35,36)29-11-14-34-12-3-4-13-34/h5-10,15-17,29H,3-4,11-14H2,1-2H3,(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	20.4	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