Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243843'   

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
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50243843 (CHEMBL4104105) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)N2CCCC2)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(7.12,-14.17,;8.45,-14.94,;9.78,-14.17,;10.18,-12.67,;11.66,-13.06,;12.99,-12.29,;14.32,-13.05,;15.08,-14.38,;13.55,-14.37,;15.65,-12.28,;17.06,-12.91,;18.09,-11.77,;17.32,-10.43,;15.82,-10.75,;11.27,-14.55,;8.46,-16.48,;7.13,-17.24,;7.13,-18.79,;8.46,-19.56,;9.8,-18.78,;11.27,-19.24,;12.17,-17.99,;11.25,-16.75,;9.79,-17.24,)| Show InChI InChI=1S/C16H23N5O2S/c1-20(16-14-4-5-17-15(14)18-11-19-16)13-8-12(9-13)10-24(22,23)21-6-2-3-7-21/h4-5,11-13H,2-3,6-10H2,1H3,(H,17,18,19)/t12-,13+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	211	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN...				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
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