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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 [556-888]' and Ligand = 'BDBM399718'   
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 [556-888]


(Homo sapiens (Human))
BDBM399718
PNG
(US10323036, Compound I-203 | US10793574, Compound ...)
Show SMILES Cn1[nH]c2nc(Nc3cccc(n3)C#N)cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C20H16ClN7O3S/c1-28-20(29)18-14(24-13-7-6-11(21)8-15(13)32(2,30)31)9-17(26-19(18)27-28)25-16-5-3-4-12(10-22)23-16/h3-9H,1-2H3,(H3,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.75n/an/an/an/an/a


TBA

Assay Description
The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2P27291
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888]


(Homo sapiens (Human))
BDBM399718
PNG
(US10323036, Compound I-203 | US10793574, Compound ...)
Show SMILES Cn1[nH]c2nc(Nc3cccc(n3)C#N)cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c2c1=O
Show InChI InChI=1S/C20H16ClN7O3S/c1-28-20(29)18-14(24-13-7-6-11(21)8-15(13)32(2,30)31)9-17(26-19(18)27-28)25-16-5-3-4-12(10-22)23-16/h3-9H,1-2H3,(H3,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.75n/an/an/an/an/a



Nimbus Lakshmi, Inc.

US Patent


Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...


US Patent US10793574 (2020)


BindingDB Entry DOI: 10.7270/Q2WM1HH6
More data for this
Ligand-Target Pair