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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 = 'BDBM50466684'   
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))
BDBM50466684
PNG
(CHEMBL4281693)
Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/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))
BDBM50466684
PNG
(CHEMBL4281693)
Show SMILES O[C@@H]1Cc2ccc(cc2[C@H]1NC#N)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H13N5O/c17-7-19-15-12-5-10(2-1-9(12)6-13(15)22)14-11-3-4-18-16(11)21-8-20-14/h1-5,8,13,15,19,22H,6H2,(H,18,20,21)/t13-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/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