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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM50332622'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332622
PNG
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)
Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r|
Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332622
PNG
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)
Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r|
Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/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 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA


J Med Chem 53: 8468-84 (2010)


Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D
More data for this
Ligand-Target Pair