Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50320990'   

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))	BDBM50320990 (3-[(4-Methoxy-benzylamino)-methyl]-2-(4-phenyl-1Hp...) Show SMILES COc1ccc(CNCc2c([nH]c3cc(ccc23)C(=O)N(C)CC(C)C)-c2n[nH]cc2-c2ccccc2)cc1 Show InChI InChI=1S/C32H35N5O2/c1-21(2)20-37(3)32(38)24-12-15-26-28(18-33-17-22-10-13-25(39-4)14-11-22)30(35-29(26)16-24)31-27(19-34-36-31)23-8-6-5-7-9-23/h5-16,19,21,33,35H,17-18,20H2,1-4H3,(H,34,36)	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	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
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