Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50212780'   

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))	BDBM50212780 (CHEMBL231708 | N-(1-(3-aminopropyl)-1H-benzo[d]imi...) Show SMILES NCCCn1c(NC(=O)c2cccs2)nc2ccccc12 Show InChI InChI=1S/C15H16N4OS/c16-8-4-9-19-12-6-2-1-5-11(12)17-15(19)18-14(20)13-7-3-10-21-13/h1-3,5-7,10H,4,8-9,16H2,(H,17,18,20)	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	1.50E+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))	BDBM50212780 (CHEMBL231708 | N-(1-(3-aminopropyl)-1H-benzo[d]imi...) Show SMILES NCCCn1c(NC(=O)c2cccs2)nc2ccccc12 Show InChI InChI=1S/C15H16N4OS/c16-8-4-9-19-12-6-2-1-5-11(12)17-15(19)18-14(20)13-7-3-10-21-13/h1-3,5-7,10H,4,8-9,16H2,(H,17,18,20)	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	1.20E+4	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