Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Fyn' and Ligand = 'BDBM50118655'   

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))	BDBM50118655 (CHEMBL432649 | Ca-pYEEIE) 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(OP(O)(O)=O)cc1)N=CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |w:40.41| Show InChI InChI=1S/C38H50N5O18P/c1-3-20(2)33(37(55)42-26(38(56)57)11-15-32(50)51)43-35(53)25(10-14-31(48)49)40-34(52)24(9-13-30(46)47)41-36(54)27(39-17-16-22-6-12-28(44)29(45)19-22)18-21-4-7-23(8-5-21)61-62(58,59)60/h4-8,12,17,19-20,24-27,33,44-45H,3,9-11,13-16,18H2,1-2H3,(H,40,52)(H,41,54)(H,42,55)(H,43,53)(H,46,47)(H,48,49)(H,50,51)(H,56,57)(H2,58,59,60)/t20-,24-,25-,26-,27-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	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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