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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 = 'BDBM281371'   
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))
BDBM281371
PNG
(US10022376, Example 31)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O5S/c1-5-13-9-21(34)17(26)10-16(13)18-11-19-22(23(31-30-19)25(35)27-2)24(29-18)28-12-14-8-15(33)6-7-20(14)32(3)38(4,36)37/h6-11,33-34H,5,12H2,1-4H3,(H,27,35)(H,28,29)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US10022376 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281371
PNG
(US10022376, Example 31)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O5S/c1-5-13-9-21(34)17(26)10-16(13)18-11-19-22(23(31-30-19)25(35)27-2)24(29-18)28-12-14-8-15(33)6-7-20(14)32(3)38(4,36)37/h6-11,33-34H,5,12H2,1-4H3,(H,27,35)(H,28,29)(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

More data for this
Ligand-Target Pair