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BDBM50433605 CHEMBL2381975

SMILES: C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCN(CC2)S(C)(=O)=O)c1F)c1ccc(F)cn1

InChI Key: InChIKey=OEQWYBMMCJIJKN-ZDUSSCGKSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433605   
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 JAK3


(Homo sapiens (Human))
BDBM50433605
PNG
(CHEMBL2381975)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCN(CC2)S(C)(=O)=O)c1F)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C20H25F2N9O2S/c1-12-10-16(29-28-12)25-20-26-18(24-13(2)15-5-4-14(21)11-23-15)17(22)19(27-20)30-6-8-31(9-7-30)34(3,32)33/h4-5,10-11,13H,6-9H2,1-3H3,(H3,24,25,26,27,28,29)/t13-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433605
PNG
(CHEMBL2381975)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)nc(N2CCN(CC2)S(C)(=O)=O)c1F)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C20H25F2N9O2S/c1-12-10-16(29-28-12)25-20-26-18(24-13(2)15-5-4-14(21)11-23-15)17(22)19(27-20)30-6-8-31(9-7-30)34(3,32)33/h4-5,10-11,13H,6-9H2,1-3H3,(H3,24,25,26,27,28,29)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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