Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243905'   

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))	BDBM50243905 (CHEMBL4087044) Show SMILES COCCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r,wD:11.13,9.8,(20.38,-8.92,;19.05,-9.69,;17.72,-8.92,;16.38,-9.69,;15.05,-8.91,;13.71,-9.68,;14.47,-11.01,;12.94,-11.01,;12.38,-8.92,;11.05,-9.7,;9.56,-9.3,;9.17,-10.8,;10.66,-11.18,;7.84,-11.57,;6.5,-10.81,;7.84,-13.11,;6.51,-13.88,;6.51,-15.43,;7.85,-16.2,;9.19,-15.42,;10.66,-15.89,;11.56,-14.63,;10.64,-13.39,;9.18,-13.88,)| Show InChI InChI=1S/C15H23N5O3S/c1-20(15-13-4-5-16-14(13)17-10-18-15)12-8-11(9-12)19-24(21,22)7-3-6-23-2/h4-5,10-12,19H,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	37	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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