Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50212766'   

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))	BDBM50212766 (CHEMBL232966 | N-cyclohexyl-N-methyl-1-propyl-2-(t...) Show SMILES CCCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C23H28N4O2S/c1-3-13-27-19-12-11-16(22(29)26(2)17-8-5-4-6-9-17)15-18(19)24-23(27)25-21(28)20-10-7-14-30-20/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,24,25,28)	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	760	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))	BDBM50212766 (CHEMBL232966 | N-cyclohexyl-N-methyl-1-propyl-2-(t...) Show SMILES CCCn1c(NC(=O)c2cccs2)nc2cc(ccc12)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C23H28N4O2S/c1-3-13-27-19-12-11-16(22(29)26(2)17-8-5-4-6-9-17)15-18(19)24-23(27)25-21(28)20-10-7-14-30-20/h7,10-12,14-15,17H,3-6,8-9,13H2,1-2H3,(H,24,25,28)	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	1.60E+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