Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50198381'   

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))	BDBM50198381 (CHEMBL388820 | N-(2,6-dimethylphenyl)-5-(4-trifluo...) Show SMILES Cc1cccc(C)c1Nc1ncc(-c2ccc(cc2)C(F)(F)F)n2cncc12 Show InChI InChI=1S/C21H17F3N4/c1-13-4-3-5-14(2)19(13)27-20-18-10-25-12-28(18)17(11-26-20)15-6-8-16(9-7-15)21(22,23)24/h3-12H,1-2H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of cSrc by coupled spectrophotometric enzyme assay				Bioorg Med Chem 15: 868-85 (2006) Article DOI: 10.1016/j.bmc.2006.10.041 BindingDB Entry DOI: 10.7270/Q2DZ094H
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