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SMILES: Fc1cccc(Cn2c3nc(ncc3[nH]c2=O)-n2cnc3ccc(cc23)C#N)c1F

InChI Key: InChIKey=QXLMRXPZIZEHMX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311642   
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))
BDBM50311642
PNG
(1-(9-(2,3-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...)
Show SMILES Fc1cccc(Cn2c3nc(ncc3[nH]c2=O)-n2cnc3ccc(cc23)C#N)c1F
Show InChI InChI=1S/C20H11F2N7O/c21-13-3-1-2-12(17(13)22)9-28-18-15(26-20(28)30)8-24-19(27-18)29-10-25-14-5-4-11(7-23)6-16(14)29/h1-6,8,10H,9H2,(H,26,30)
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 (532-1132) by time resolved fluorescence assay


Bioorg Med Chem Lett 19: 6788-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50311642
PNG
(1-(9-(2,3-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...)
Show SMILES Fc1cccc(Cn2c3nc(ncc3[nH]c2=O)-n2cnc3ccc(cc23)C#N)c1F
Show InChI InChI=1S/C20H11F2N7O/c21-13-3-1-2-12(17(13)22)9-28-18-15(26-20(28)30)8-24-19(27-18)29-10-25-14-5-4-11(7-23)6-16(14)29/h1-6,8,10H,9H2,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 (508-1124) by time resolved fluorescence assay


Bioorg Med Chem Lett 19: 6788-92 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.080
BindingDB Entry DOI: 10.7270/Q24B31G4
More data for this
Ligand-Target Pair