Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50103057'   

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))	BDBM50103057 (((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...) Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(C(C(=O)Nc2cccc3ccccc23)c2ccccc2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C55H53N4O10PS/c1-55(2,3)68-54(63)57-45(34-36-26-30-42(31-27-36)69-70(64,65)67-35-37-16-7-5-8-17-37)51(60)58-48-50(40-28-32-41(66-4)33-29-40)71-47-25-14-13-24-46(47)59(53(48)62)49(39-19-9-6-10-20-39)52(61)56-44-23-15-21-38-18-11-12-22-43(38)44/h5-33,45,48-50H,34-35H2,1-4H3,(H,56,61)(H,57,63)(H,58,60)(H,64,65)/t45-,48?,49?,50?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Curated by ChEMBL					Assay Description Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution				Bioorg Med Chem Lett 11: 2127-31 (2001) BindingDB Entry DOI: 10.7270/Q247495R
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