Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50449314'   

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 JAK2 (Homo sapiens (Human))	BDBM50449314 (CHEMBL3125862) Show SMILES O=c1[nH]c(CSc2nnc(NCC3CCCO3)s2)nc2sc(cc12)-c1ccccc1 Show InChI InChI=1S/C20H19N5O2S3/c26-17-14-9-15(12-5-2-1-3-6-12)29-18(14)23-16(22-17)11-28-20-25-24-19(30-20)21-10-13-7-4-8-27-13/h1-3,5-6,9,13H,4,7-8,10-11H2,(H,21,24)(H,22,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Zurich Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 1523-7 (2014) Article DOI: 10.1016/j.bmcl.2014.01.083 BindingDB Entry DOI: 10.7270/Q2X068JR
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