Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Fyn' and Ligand = 'BDBM50118659'   

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
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50118659 (CHEMBL327820 | Ca-YEEIE) 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)cc1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C39H49N5O16/c1-3-20(2)34(38(58)43-26(39(59)60)12-17-33(53)54)44-36(56)25(11-16-32(51)52)41-35(55)24(10-15-31(49)50)42-37(57)27(18-21-4-8-23(45)9-5-21)40-30(48)14-7-22-6-13-28(46)29(47)19-22/h4-9,13-14,19-20,24-27,34,45-47H,3,10-12,15-18H2,1-2H3,(H,40,48)(H,41,55)(H,42,57)(H,43,58)(H,44,56)(H,49,50)(H,51,52)(H,53,54)(H,59,60)/b14-7+/t20-,24-,25-,26-,27-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+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-Fyn-SH2 domain in ELISA				Bioorg Med Chem Lett 12: 2711-4 (2002) BindingDB Entry DOI: 10.7270/Q2H131C3
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