Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50234899'   

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))	BDBM50234899 (CHEMBL4089515) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CC[C@H](C1)S(=O)(=O)c1cccc(O)c1 |r| Show InChI InChI=1S/C24H30N6O4S/c1-16-7-10-30(14-21(16)28(2)23-20-6-9-25-22(20)26-15-27-23)24(32)29-11-8-19(13-29)35(33,34)18-5-3-4-17(31)12-18/h3-6,9,12,15-16,19,21,31H,7-8,10-11,13-14H2,1-2H3,(H,25,26,27)/t16-,19-,21+/m1/s1	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...				J Med Chem 60: 767-786 (2017) Article DOI: 10.1021/acs.jmedchem.6b01634 BindingDB Entry DOI: 10.7270/Q24J0HDZ
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