Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50361182'   

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))	BDBM50361182 (CHEMBL4167286) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCCC(=O)NO)n1 Show InChI InChI=1S/C30H39N7O5S/c1-43(41,42)36-25-9-7-22(8-10-25)27-15-19-32-30(34-27)33-24-11-13-26(14-12-24)37-20-16-23(17-21-37)29(39)31-18-5-3-2-4-6-28(38)35-40/h7-15,19,23,36,40H,2-6,16-18,20-21H2,1H3,(H,31,39)(H,35,38)(H,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
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