Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50212775'   

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))	BDBM50212775 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(4-methoxyb...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(19-6-4-3-5-7-19)25(34)18-10-13-22-21(16-18)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33)	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	1.10E+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))	BDBM50212775 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(4-methoxyb...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)C(=O)N(C)C1CCCCC1 Show InChI InChI=1S/C26H31N5O4/c1-30(19-6-4-3-5-7-19)25(34)18-10-13-22-21(16-18)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,32)(H,28,29,33)	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	1.70E+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