Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50212769'   

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))	BDBM50212769 (CHEMBL233168 | N-cyclohexyl-N-methyl-1-phenethyl-2...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCc3ccccc3)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C28H30N4O2S/c1-31(22-11-6-3-7-12-22)27(34)21-14-15-24-23(19-21)29-28(30-26(33)25-13-8-18-35-25)32(24)17-16-20-9-4-2-5-10-20/h2,4-5,8-10,13-15,18-19,22H,3,6-7,11-12,16-17H2,1H3,(H,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human ITK by DELFIA assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50212769 (CHEMBL233168 | N-cyclohexyl-N-methyl-1-phenethyl-2...) Show SMILES CN(C1CCCCC1)C(=O)c1ccc2n(CCc3ccccc3)c(NC(=O)c3cccs3)nc2c1 Show InChI InChI=1S/C28H30N4O2S/c1-31(22-11-6-3-7-12-22)27(34)21-14-15-24-23(19-21)29-28(30-26(33)25-13-8-18-35-25)32(24)17-16-20-9-4-2-5-10-20/h2,4-5,8-10,13-15,18-19,22H,3,6-7,11-12,16-17H2,1H3,(H,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay				Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6
					More data for this Ligand-Target Pair