Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50301015'   

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))	BDBM50301015 (4-(2,4-Dichloro-5-methoxy-phenylamino)-7-[5-(1-oxo...) Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCS(=O)CC3)cn2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H23Cl2N5O2S/c1-36-26-12-25(21(28)11-22(26)29)33-27-19(13-30)15-32-24-10-18(3-4-20(24)27)23-5-2-17(14-31-23)16-34-6-8-37(35)9-7-34/h2-5,10-12,14-15H,6-9,16H2,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Src				Bioorg Med Chem Lett 19: 5071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.043 BindingDB Entry DOI: 10.7270/Q27M081R
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50301015 (4-(2,4-Dichloro-5-methoxy-phenylamino)-7-[5-(1-oxo...) Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCS(=O)CC3)cn2)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H23Cl2N5O2S/c1-36-26-12-25(21(28)11-22(26)29)33-27-19(13-30)15-32-24-10-18(3-4-20(24)27)23-5-2-17(14-31-23)16-34-6-8-37(35)9-7-34/h2-5,10-12,14-15H,6-9,16H2,1H3,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human Src expressed in rat fibroblasts assessed as anchorage independent growth after 3 days				Bioorg Med Chem Lett 19: 5071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.043 BindingDB Entry DOI: 10.7270/Q27M081R
					More data for this Ligand-Target Pair