Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50067661'   

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))	BDBM50067661 (CHEMBL137706 | Phosphoric acid mono-(4-{(S)-2-acet...) Show SMILES CCCCCCN(CCCCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C Show InChI InChI=1S/C31H53N4O8P/c1-7-9-11-13-19-35(20-14-12-10-8-2)31(39)23(5)32-30(38)28(22(3)4)34-29(37)27(33-24(6)36)21-25-15-17-26(18-16-25)43-44(40,41)42/h15-18,22-23,27-28H,7-14,19-21H2,1-6H3,(H,32,38)(H,33,36)(H,34,37)(H2,40,41,42)/t23-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Affinity for SH2 domain of src in Sf9 insect cells				J Med Chem 41: 4329-42 (1998) Article DOI: 10.1021/jm9802766 BindingDB Entry DOI: 10.7270/Q2ZW1K2K
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