Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ITK/TSK' and Ligand = 'BDBM195902'   

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))	BDBM195902 (US9206188, 138 | US9834551, Example 138) Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1 Show InChI InChI=1S/C27H27FN4O2/c1-17-11-21(25(34-4)14-24(17)28)23-16-30-27-22(23)13-19(15-29-27)18-7-5-8-20(12-18)31-26(33)9-6-10-32(2)3/h5-9,11-16H,10H2,1-4H3,(H,29,30)(H,31,33)/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	72.4	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM195902 (US9206188, 138 | US9834551, Example 138) Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1 Show InChI InChI=1S/C27H27FN4O2/c1-17-11-21(25(34-4)14-24(17)28)23-16-30-27-22(23)13-19(15-29-27)18-7-5-8-20(12-18)31-26(33)9-6-10-32(2)3/h5-9,11-16H,10H2,1-4H3,(H,29,30)(H,31,33)/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...				US Patent US9834551 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM195902 (US9206188, 138 | US9834551, Example 138) Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1 Show InChI InChI=1S/C27H27FN4O2/c1-17-11-21(25(34-4)14-24(17)28)23-16-30-27-22(23)13-19(15-29-27)18-7-5-8-20(12-18)31-26(33)9-6-10-32(2)3/h5-9,11-16H,10H2,1-4H3,(H,29,30)(H,31,33)/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
ARRIEN PHARMACEUTICALS LLC US Patent					Assay Description 1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H-pyrrolo[2,3-b]pyrazine series of compounds exhibited over >100 fold selective against Ja...				US Patent US9206188 (2015) BindingDB Entry DOI: 10.7270/Q2057DRT
					More data for this Ligand-Target Pair