Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50128851'   

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 (Rattus norvegicus)	BDBM50128851 (2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-di...) Show SMILES C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)NCC1CCCCC1 |c:7,t:9| Show InChI InChI=1S/C27H33ClN2O7/c1-16-11-23-22(37-23)10-6-5-9-18(30-35-15-24(33)29-14-17-7-3-2-4-8-17)12-19-25(27(34)36-16)20(31)13-21(32)26(19)28/h5-6,9-10,13,16-17,22-23,31-32H,2-4,7-8,11-12,14-15H2,1H3,(H,29,33)/b9-5+,10-6-,30-18+/t16-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of v-Src tyrosine kinase autophosphorylation in SR3Y1 cells after 15 hr exposure				J Med Chem 46: 2534-41 (2003) Article DOI: 10.1021/jm030110r BindingDB Entry DOI: 10.7270/Q2H41QTG
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