Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50379280'   

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))	BDBM50379280 (CHEMBL2011503) Show SMILES NC(=O)[C@@H]1CCCNC(=O)[C@H](Cc2ccc(cc2)[N+]([O-])=O)NC(=O)[C@H](Cc2ccco2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:45| Show InChI InChI=1S/C31H37N7O9/c32-28(41)22-4-1-13-33-29(42)23(15-19-7-9-20(10-8-19)38(45)46)36-31(44)25(17-21-3-2-14-47-21)37-30(43)24(16-18-5-6-18)35-27(40)12-11-26(39)34-22/h2-3,7-12,14,18,22-25H,1,4-6,13,15-17H2,(H2,32,41)(H,33,42)(H,34,39)(H,35,40)(H,36,44)(H,37,43)/b12-11+/t22-,23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of Harvard and MIT Curated by ChEMBL					Assay Description Inhibition of SRC by DEL method				Bioorg Med Chem 20: 1979-89 (2012) Article DOI: 10.1016/j.bmc.2011.11.071 BindingDB Entry DOI: 10.7270/Q22J6CVS
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