Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50080196'   

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))	BDBM50080196 (CHEMBL78037 | Phosphoric acid mono-(4-{(S)-2-acety...) Show SMILES CCCCCCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O Show InChI InChI=1S/C23H34N5O8P/c1-3-4-5-6-7-21-27-23(35-28-21)18(12-13-20(24)30)26-22(31)19(25-15(2)29)14-16-8-10-17(11-9-16)36-37(32,33)34/h8-11,18-19H,3-7,12-14H2,1-2H3,(H2,24,30)(H,25,29)(H,26,31)(H2,32,33,34)/t18-,19-/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	2.40E+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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