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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2 [5-1181]' and Ligand = 'BDBM50530403'   
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
Non-receptor tyrosine-protein kinase TYK2 [5-1181]


(Mus musculus)
BDBM50530403
PNG
(CHEMBL4583185)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H17FN6O3S/c1-20-18(26)17-13(22-12-5-3-4-6-14(12)29(2,27)28)9-16(24-25-17)23-15-8-7-11(19)10-21-15/h3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [5-1181]


(Mus musculus)
BDBM50530403
PNG
(CHEMBL4583185)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H17FN6O3S/c1-20-18(26)17-13(22-12-5-3-4-6-14(12)29(2,27)28)9-16(24-25-17)23-15-8-7-11(19)10-21-15/h3-10H,1-2H3,(H,20,26)(H2,21,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair