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SMILES: COC(=O)C1(Nc2ccccc2-c2ccnc3[nH]cc1c23)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=YRKCZRGFAVTARH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305192   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50305192
PNG
(CHEMBL602648 | Methyl 9-(4-nitrophenyl)-8,12,14-tr...)
Show SMILES COC(=O)C1(Nc2ccccc2-c2ccnc3[nH]cc1c23)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H16N4O4/c1-30-21(27)22(13-6-8-14(9-7-13)26(28)29)17-12-24-20-19(17)16(10-11-23-20)15-4-2-3-5-18(15)25-22/h2-12,25H,1H3,(H,23,24)
PDB

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Article
PubMed
210n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 20: 153-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.021
BindingDB Entry DOI: 10.7270/Q2PN95RQ
More data for this
Ligand-Target Pair