Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50467410'   

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))	BDBM50467410 (CHEMBL4284388) Show SMILES OC(=O)C(F)(F)F.CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(NC(=O)CCCCC(=O)NO)c2)n1 Show InChI InChI=1S/C24H26N6O4/c1-16(31)26-18-11-9-17(10-12-18)21-13-14-25-24(29-21)28-20-6-4-5-19(15-20)27-22(32)7-2-3-8-23(33)30-34/h4-6,9-15,34H,2-3,7-8H2,1H3,(H,26,31)(H,27,32)(H,30,33)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...				Eur J Med Chem 158: 593-619 (2018) Article DOI: 10.1016/j.ejmech.2018.09.024 BindingDB Entry DOI: 10.7270/Q2Z3229Z
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