Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50331813'   

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))	BDBM50331813 (2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl Show InChI InChI=1S/C22H15Cl2F2N3O/c1-11(14-9-19(26)18(24)10-17(14)23)28-21-15(12-2-4-13(25)5-3-12)8-16-20(29-21)6-7-27-22(16)30/h2-11H,1H3,(H,27,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
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