Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lck' and Ligand = 'BDBM50118660'   

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 Lck (Homo sapiens (Human))	BDBM50118660 (CHEMBL90976 | Cm-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)NOC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C41H50N5O21P/c1-3-20(2)36(40(59)44-28(41(60)61)12-15-33(52)53)45-38(57)27(11-14-32(50)51)42-37(56)26(10-13-31(48)49)43-39(58)29(16-21-4-7-24(8-5-21)67-68(62,63)64)46-66-35(55)18-22-17-34(54)65-30-19-23(47)6-9-25(22)30/h4-9,17,19-20,26-29,36,46-47H,3,10-16,18H2,1-2H3,(H,42,56)(H,43,58)(H,44,59)(H,45,57)(H,48,49)(H,50,51)(H,52,53)(H,60,61)(H2,62,63,64)/t20-,26-,27-,28-,29-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Mogam Biotechnology Research Institute Curated by ChEMBL					Assay Description Affinity for GST-Lck-SH2 domain in ELISA				Bioorg Med Chem Lett 12: 2711-4 (2002) BindingDB Entry DOI: 10.7270/Q2H131C3
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