Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50274666'   

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))	BDBM50274666 (CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) Show SMILES COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H24N6O4/c1-32(26(36)19-7-10-21(37-2)11-8-19)20-9-12-23-22(15-20)30-27(33(23)14-13-24(29)34)31-25(35)18-5-3-17(16-28)4-6-18/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of recombinant ITK (unknown origin) by DELFIA assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50274666 (CHEMBL485626 | N-[1-(2-carbamoylethyl)-2-[(4-cyano...) Show SMILES COc1ccc(cc1)C(=O)N(C)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1 Show InChI InChI=1S/C27H24N6O4/c1-32(26(36)19-7-10-21(37-2)11-8-19)20-9-12-23-22(15-20)30-27(33(23)14-13-24(29)34)31-25(35)18-5-3-17(16-28)4-6-18/h3-12,15H,13-14H2,1-2H3,(H2,29,34)(H,30,31,35)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Curated by ChEMBL					Assay Description Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell receptor-stimulated calcium influx by FLIPR assay				Bioorg Med Chem Lett 18: 5537-40 (2008) Article DOI: 10.1016/j.bmcl.2008.09.017 BindingDB Entry DOI: 10.7270/Q208655Z
					More data for this Ligand-Target Pair