Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM50118654'   

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))	BDBM50118654 (CHEMBL328034 | Ca-DOPA-EEIE) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C39H49N5O17/c1-3-19(2)34(38(59)43-24(39(60)61)9-15-33(54)55)44-36(57)23(8-14-32(52)53)41-35(56)22(7-13-31(50)51)42-37(58)25(16-21-5-11-27(46)29(48)18-21)40-30(49)12-6-20-4-10-26(45)28(47)17-20/h4-6,10-12,17-19,22-25,34,45-48H,3,7-9,13-16H2,1-2H3,(H,40,49)(H,41,56)(H,42,58)(H,43,59)(H,44,57)(H,50,51)(H,52,53)(H,54,55)(H,60,61)/b12-6+/t19-,22-,23-,24-,25-,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mogam Biotechnology Research Institute Curated by ChEMBL					Assay Description Affinity for GST- Src-SH2 domain in ELISA				Bioorg Med Chem Lett 12: 2711-4 (2002) BindingDB Entry DOI: 10.7270/Q2H131C3
					More data for this Ligand-Target Pair