Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50331816'   

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))	BDBM50331816 (CHEMBL1290308 | N-(2-(dimethylamino)ethyl)-2-(3,3-...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C Show InChI InChI=1S/C19H29N5O2/c1-12(19(2,3)4)22-16-14(18(26)21-9-10-24(5)6)11-13-15(23-16)7-8-20-17(13)25/h7-8,11-12H,9-10H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.35E+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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