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Found 6 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM329924'   
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))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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n/an/a 23n/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
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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US Patent
n/an/a 23n/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
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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n/an/a 23n/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
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assay


J Med Chem 61: 8597-8612 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
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PC sid
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US Patent
n/an/a 23n/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
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM329924
PNG
(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1 |r,THB:19:18:11.12.17:15.14|
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assay


J Med Chem 61: 8597-8612 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00917
BindingDB Entry DOI: 10.7270/Q20C507F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)