Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50224375'   

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))	BDBM50224375 (CHEMBL401038 | N-(4-chlorophenethyl)-7-(2-chloro-2...) Show SMILES CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(CC(Cl)c3ccccc3)c2n1 |w:20.21| Show InChI InChI=1S/C23H22Cl2N4S/c1-30-23-27-21(26-13-11-16-7-9-18(24)10-8-16)19-12-14-29(22(19)28-23)15-20(25)17-5-3-2-4-6-17/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human recombinant Src				J Med Chem 50: 5579-88 (2007) Article DOI: 10.1021/jm061449r BindingDB Entry DOI: 10.7270/Q2HX1CDW
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