Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50234908'   

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))	BDBM50234908 (CHEMBL4093813) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)	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	0.5	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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