Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50384882'   

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))	BDBM50384882 (CHEMBL2035044) Show SMILES CN1C\C=C\CCOc2cc(ccn2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C22H23N5O/c1-27-12-3-2-4-13-28-21-15-18(8-10-23-21)20-9-11-24-22(26-20)25-19-7-5-6-17(14-19)16-27/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,24,25,26)/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
S BIO Pte. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 using poly(Glu,Ala,Tyr) as substrate after 2 hrs by luminometric assay				J Med Chem 55: 2623-40 (2012) Article DOI: 10.1021/jm201454n BindingDB Entry DOI: 10.7270/Q2CC11RG
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