Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50080189'   

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))	BDBM50080189 (CHEMBL76076 | Phosphoric acid mono-[4-((S)-2-acety...) Show SMILES CC(C)CCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C28H34N5O7P/c1-17(2)8-13-26-32-28(39-33-26)25(15-20-16-29-23-7-5-4-6-22(20)23)31-27(35)24(30-18(3)34)14-19-9-11-21(12-10-19)40-41(36,37)38/h4-7,9-12,16-17,24-25,29H,8,13-15H2,1-3H3,(H,30,34)(H,31,35)(H2,36,37,38)/t24-,25-/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	3.30E+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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