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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2 [V731I]' and Ligand = 'BDBM399757'   
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 [V731I]


(Homo sapiens (Human))
BDBM399757
PNG
(US10323036, Compound VIII-5 | US10793574, Compound...)
Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C22H22N8O4/c1-30-11-24-20(29-30)13-4-3-5-15(19(13)33-2)25-16-8-17(26-21(32)12-6-7-12)23-9-14(16)22-28-27-18(10-31)34-22/h3-5,8-9,11-12,31H,6-7,10H2,1-2H3,(H2,23,25,26,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Novartis Institute for Tropical Diseases



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...


Anal Biochem 395: 195-204 (2009)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair