Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50331279'   

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 ITK/TSK (Homo sapiens (Human))	BDBM50331279 (3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyrid...) Show SMILES Cc1ccc2[nH]c(cc2c1)-c1n[nH]c2cccnc12 Show InChI InChI=1S/C15H12N4/c1-9-4-5-11-10(7-9)8-13(17-11)15-14-12(18-19-15)3-2-6-16-14/h2-8,17H,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant GST- tagged full-length ITK expressed in baculovirus expression system after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 20: 6998-7003 (2010) Article DOI: 10.1016/j.bmcl.2010.09.119 BindingDB Entry DOI: 10.7270/Q2JD4X29
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