Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243855'   

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))	BDBM50243855 (CHEMBL4085011) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)Cc1ccccc1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.11,-10.73,;7.45,-11.49,;8.78,-10.72,;9.17,-9.22,;10.66,-9.62,;10.27,-11.11,;11.99,-8.84,;13.32,-9.61,;14.09,-10.94,;12.55,-10.93,;14.66,-8.84,;15.99,-9.61,;15.98,-11.15,;17.31,-11.92,;18.65,-11.15,;18.65,-9.6,;17.32,-8.84,;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/C18H21N5O2S/c1-23(18-16-7-8-19-17(16)20-12-21-18)15-9-14(10-15)22-26(24,25)11-13-5-3-2-4-6-13/h2-8,12,14-15,22H,9-11H2,1H3,(H,19,20,21)/t14-,15+	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	92	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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