Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50311954'   

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))	BDBM50311954 (6-methyl-4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-m...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1 Show InChI InChI=1S/C29H30N6O2S/c1-20-25-11-12-31-28(25)10-9-27(20)33-29-23(18-30)19-32-21(2)26(29)8-7-22-5-4-6-24(17-22)38(36,37)35-15-13-34(3)14-16-35/h4-12,17,19,31H,13-16H2,1-3H3,(H,32,33)/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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: 6575-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.031 BindingDB Entry DOI: 10.7270/Q2KD1Z1F
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