Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50338104'   

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))	BDBM50338104 (2-methoxy-N-(3-(6-methyl-1H-indol-2-yl)-1H-indazol...) Show SMILES COCC(=O)Nc1ccc2[nH]nc(-c3cc4ccc(C)cc4[nH]3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-11-3-4-12-8-17(21-16(12)7-11)19-14-9-13(20-18(24)10-25-2)5-6-15(14)22-23-19/h3-9,21H,10H2,1-2H3,(H,20,24)(H,22,23)	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	120	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 21: 1852-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.035 BindingDB Entry DOI: 10.7270/Q2MC90BW
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