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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM329930'   
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))
BDBM329930
PNG
(US10463675, Example 13 | US10980815, Ex. No. 13 | ...)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19|
Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US9663526 (2017)


BindingDB Entry DOI: 10.7270/Q2CV4KVD
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329930
PNG
(US10463675, Example 13 | US10980815, Ex. No. 13 | ...)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19|
Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 M...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35J0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329930
PNG
(US10463675, Example 13 | US10980815, Ex. No. 13 | ...)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19|
Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US10980815 (2021)


BindingDB Entry DOI: 10.7270/Q2XD14SG
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329930
PNG
(US10463675, Example 13 | US10980815, Ex. No. 13 | ...)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)CC#N)cc1 |r,THB:24:23:16.17.22:20.19|
Show InChI InChI=1S/C22H25N7O2/c1-2-24-21(31)15-3-5-16(6-4-15)26-22-25-12-10-19(27-22)28-13-17-7-8-18(14-28)29(17)20(30)9-11-23/h3-6,10,12,17-18H,2,7-9,13-14H2,1H3,(H,24,31)(H,25,26,27)/t17-,18+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...


US Patent US10463675 (2019)


BindingDB Entry DOI: 10.7270/Q2VT1VGN
More data for this
Ligand-Target Pair