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SMILES: Fc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1

InChI Key: InChIKey=PLBIOPHLHUUMDK-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 = 50311643   
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))
BDBM50311643
PNG
(9-(2,6-difluorobenzyl)-2-(6-fluoro-1H-benzo[d]imid...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1
Show InChI InChI=1S/C19H11F3N6O/c20-10-4-5-14-16(6-10)28(9-24-14)18-23-7-15-17(26-18)27(19(29)25-15)8-11-12(21)2-1-3-13(11)22/h1-7,9H,8H2,(H,25,29)
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Article
PubMed
n/an/a 320n/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))
BDBM50311643
PNG
(9-(2,6-difluorobenzyl)-2-(6-fluoro-1H-benzo[d]imid...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1
Show InChI InChI=1S/C19H11F3N6O/c20-10-4-5-14-16(6-10)28(9-24-14)18-23-7-15-17(26-18)27(19(29)25-15)8-11-12(21)2-1-3-13(11)22/h1-7,9H,8H2,(H,25,29)
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 70n/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