Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243858'   

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 JAK1 (Homo sapiens (Human))	BDBM50243858 (CHEMBL4090590) Show SMILES CCCS(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:9.11,7.6,(17.33,-8.84,;15.99,-9.61,;14.66,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;11.99,-8.84,;10.66,-9.62,;9.17,-9.22,;8.78,-10.72,;10.27,-11.11,;7.45,-11.49,;6.11,-10.73,;7.45,-13.03,;6.13,-13.81,;6.12,-15.35,;7.46,-16.12,;8.8,-15.34,;10.27,-15.81,;11.17,-14.56,;10.25,-13.31,;8.79,-13.8,)| Show InChI InChI=1S/C15H22N4O2S/c1-3-6-22(20,21)9-11-7-12(8-11)19(2)15-13-4-5-16-14(13)17-10-18-15/h4-5,10-12H,3,6-9H2,1-2H3,(H,16,17,18)/t11-,12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
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