Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50080202'   

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))	BDBM50080202 ((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...) Show SMILES CC(C)CCc1csc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C23H32N3O8PS/c1-14(2)4-7-17-13-36-23(25-17)19(10-11-21(28)29)26-22(30)20(24-15(3)27)12-16-5-8-18(9-6-16)34-35(31,32)33/h5-6,8-9,13-14,19-20H,4,7,10-12H2,1-3H3,(H,24,27)(H,26,30)(H,28,29)(H2,31,32,33)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity against Src-homology 2 (SRC SH2).				Bioorg Med Chem Lett 9: 2359-64 (1999) BindingDB Entry DOI: 10.7270/Q2G73CX5
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