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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 = 'BDBM50530801'   
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))
BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
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PC sid
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...


J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...


J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair