Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50137605'   

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))	BDBM50137605 (3-[1-[3-(3-Dimethylamino-propyl)-4,5-dimethyl-1H-p...) Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C)c3CCCN(C)C)c2c1 Show InChI InChI=1S/C21H28N4O3S/c1-13-14(2)23-20(16(13)7-6-10-25(4)5)12-18-17-11-15(29(27,28)22-3)8-9-19(17)24-21(18)26/h8-9,11-12,22-23H,6-7,10H2,1-5H3,(H,24,26)/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SUGEN, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Src protein tryrosine kinase				Bioorg Med Chem Lett 14: 187-90 (2003) BindingDB Entry DOI: 10.7270/Q2HM57VG
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