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BDBM50311637 9-(tetrahydro-2H-pyran-4-yl)-2-(6-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)-7H-purin-8(9H)-one::CHEMBL1088423

SMILES: FC(F)(F)c1ccc2ncn(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1

InChI Key: InChIKey=VVFYORVEGPBUFQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311637   
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))
BDBM50311637
PNG
(9-(tetrahydro-2H-pyran-4-yl)-2-(6-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc2ncn(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1
Show InChI InChI=1S/C18H15F3N6O2/c19-18(20,21)10-1-2-12-14(7-10)26(9-23-12)16-22-8-13-15(25-16)27(17(28)24-13)11-3-5-29-6-4-11/h1-2,7-9,11H,3-6H2,(H,24,28)
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PC cid
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Article
PubMed
n/an/a 560n/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))
BDBM50311637
PNG
(9-(tetrahydro-2H-pyran-4-yl)-2-(6-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc2ncn(-c3ncc4[nH]c(=O)n(C5CCOCC5)c4n3)c2c1
Show InChI InChI=1S/C18H15F3N6O2/c19-18(20,21)10-1-2-12-14(7-10)26(9-23-12)16-22-8-13-15(25-16)27(17(28)24-13)11-3-5-29-6-4-11/h1-2,7-9,11H,3-6H2,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 68n/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