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SMILES: C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F

InChI Key: InChIKey=CIYADEJAXJTPOH-NSHDSACASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433608   
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))
BDBM50433608
PNG
(CHEMBL2381984)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F |r|
Show InChI InChI=1S/C19H20F3N7O2/c1-10-7-14(28-27-10)24-19-25-17(29-3-5-30-6-4-29)15(22)18(26-19)31-11(2)16-13(21)8-12(20)9-23-16/h7-9,11H,3-6H2,1-2H3,(H2,24,25,26,27,28)/t11-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using biotinylated TYK2 peptide as substrate after 60 mins


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50433608
PNG
(CHEMBL2381984)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)nc(N2CCOCC2)c1F)c1ncc(F)cc1F |r|
Show InChI InChI=1S/C19H20F3N7O2/c1-10-7-14(28-27-10)24-19-25-17(29-3-5-30-6-4-29)15(22)18(26-19)31-11(2)16-13(21)8-12(20)9-23-16/h7-9,11H,3-6H2,1-2H3,(H2,24,25,26,27,28)/t11-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using biotinylated poly-EY peptide as substrate after 60 mins by HTRF assay


Bioorg Med Chem Lett 23: 3105-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.111
BindingDB Entry DOI: 10.7270/Q23T9JMX
More data for this
Ligand-Target Pair