Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50109526'   

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))	BDBM50109526 (CHEMBL3601862) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(Nc4ncc(Cl)c(NCc5cccc(NC(=O)C=C)c5)n4)cn3)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C35H47ClN10O6S/c1-2-30(47)41-25-7-5-6-24(18-25)19-38-33-27(36)21-39-34(45-33)42-26-20-40-46(22-26)11-13-51-15-17-52-16-14-50-12-10-37-31(48)9-4-3-8-29-32-28(23-53-29)43-35(49)44-32/h2,5-7,18,20-22,28-29,32H,1,3-4,8-17,19,23H2,(H,37,48)(H,41,47)(H2,43,44,49)(H2,38,39,42,45)/t28-,29-,32-/m0/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	421	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by Z'-Lyte assay				J Med Chem 58: 6589-606 (2015) Article DOI: 10.1021/acs.jmedchem.5b00710 BindingDB Entry DOI: 10.7270/Q2833TSH
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