Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50038984   

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))	BDBM50302165 (3-amino-6-(4-hydroxypiperidin-1-yl)-4-propylthieno...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1 Show InChI InChI=1S/C16H22N4O2S/c1-2-3-9-8-11(20-6-4-10(21)5-7-20)19-16-12(9)13(17)14(23-16)15(18)22/h8,10,21H,2-7,17H2,1H3,(H2,18,22)	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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50302166 (3-amino-6-(3-hydroxypiperidin-1-yl)-4-propylthieno...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1 Show InChI InChI=1S/C16H22N4O2S/c1-2-4-9-7-11(20-6-3-5-10(21)8-20)19-16-12(9)13(17)14(23-16)15(18)22/h7,10,21H,2-6,8,17H2,1H3,(H2,18,22)	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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50302163 (3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1 Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22)	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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50302164 (3-amino-6-(piperazin-1-yl)-4-propylthieno[2,3-b]py...) Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1 Show InChI InChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21)	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	>7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 19: 5547-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1
					More data for this Ligand-Target Pair