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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' and Ligand = 'BDBM50530404'   
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


(Homo sapiens (Human))
BDBM50530404
PNG
(CHEMBL4279883)
Show SMILES CNc1cc(Nc2cc(F)cc(F)c2OC)nn2c(cnc12)C(=O)NC[C@](C)(O)CO |r|
Show InChI InChI=1S/C19H22F2N6O4/c1-19(30,9-28)8-24-18(29)14-7-23-17-13(22-2)6-15(26-27(14)17)25-12-5-10(20)4-11(21)16(12)31-3/h4-7,22,28,30H,8-9H2,1-3H3,(H,24,29)(H,25,26)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50530404
PNG
(CHEMBL4279883)
Show SMILES CNc1cc(Nc2cc(F)cc(F)c2OC)nn2c(cnc12)C(=O)NC[C@](C)(O)CO |r|
Show InChI InChI=1S/C19H22F2N6O4/c1-19(30,9-28)8-24-18(29)14-7-23-17-13(22-2)6-15(26-27(14)17)25-12-5-10(20)4-11(21)16(12)31-3/h4-7,22,28,30H,8-9H2,1-3H3,(H,24,29)(H,25,26)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.80n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by Scintillation proximity assay


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