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BDBM50433607 CHEMBL2381985

SMILES: C[C@H](Nc1cc(nc(Nc2cc(C)n[nH]2)n1)N1CCOCC1)c1ncc(F)cn1

InChI Key: InChIKey=FSGWUHMHSBTDLW-LBPRGKRZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433607   
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))
BDBM50433607
PNG
(CHEMBL2381985)
Show SMILES C[C@H](Nc1cc(nc(Nc2cc(C)n[nH]2)n1)N1CCOCC1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H22FN9O/c1-11-7-15(27-26-11)24-18-23-14(8-16(25-18)28-3-5-29-6-4-28)22-12(2)17-20-9-13(19)10-21-17/h7-10,12H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t12-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5n/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))
BDBM50433607
PNG
(CHEMBL2381985)
Show SMILES C[C@H](Nc1cc(nc(Nc2cc(C)n[nH]2)n1)N1CCOCC1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C18H22FN9O/c1-11-7-15(27-26-11)24-18-23-14(8-16(25-18)28-3-5-29-6-4-28)22-12(2)17-20-9-13(19)10-21-17/h7-10,12H,3-6H2,1-2H3,(H3,22,23,24,25,26,27)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 95n/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