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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 = 'BDBM50466668'   
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))
BDBM50466668
PNG
(CHEMBL4280180)
Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C(=O)C=C)c4c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-3-17(25)24-7-9-27-16-5-4-13(10-15(16)24)19-18-14(6-8-26-2)11-21-20(18)23-12-22-19/h3-5,10-12H,1,6-9H2,2H3,(H,21,22,23)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of ATP at Km concentration by coupled PK...


J Med Chem 61: 10665-10699 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01308
BindingDB Entry DOI: 10.7270/Q25T3P53
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50466668
PNG
(CHEMBL4280180)
Show SMILES COCCc1c[nH]c2ncnc(-c3ccc4OCCN(C(=O)C=C)c4c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-3-17(25)24-7-9-27-16-5-4-13(10-15(16)24)19-18-14(6-8-26-2)11-21-20(18)23-12-22-19/h3-5,10-12H,1,6-9H2,2H3,(H,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged JAK3 JH1 domain using KAIETDKEYYTVKD-NH2 as substrate in presence of 1 mM ATP concentration by coupled PK/...


J Med Chem 61: 10665-10699 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01308
BindingDB Entry DOI: 10.7270/Q25T3P53
More data for this
Ligand-Target Pair