Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM50182825'   

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))	BDBM50182825 (CHEMBL383129 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CC(C)C(CO)NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C32H41N5O4S2/c1-20(2)28(18-38)33-16-24-6-8-26(9-7-24)30(40)35-32-34-17-29(43-32)42-19-25-14-21(3)22(4)27(15-25)31(41)37-12-10-36(11-13-37)23(5)39/h6-9,14-15,17,20,28,33,38H,10-13,16,18-19H2,1-5H3,(H,34,35,40)	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	96	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 2411-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50182825 (CHEMBL383129 | N-(5-(3-(1-acetylpiperazine-4-carbo...) Show SMILES CC(C)C(CO)NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1 Show InChI InChI=1S/C32H41N5O4S2/c1-20(2)28(18-38)33-16-24-6-8-26(9-7-24)30(40)35-32-34-17-29(43-32)42-19-25-14-21(3)22(4)27(15-25)31(41)37-12-10-36(11-13-37)23(5)39/h6-9,14-15,17,20,28,33,38H,10-13,16,18-19H2,1-5H3,(H,34,35,40)	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of anti-CD3 antibody-induced IL2 production in human jurkat T cells				Bioorg Med Chem Lett 16: 2411-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.115 BindingDB Entry DOI: 10.7270/Q2Z60NNR
					More data for this Ligand-Target Pair