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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50013450   
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))
BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay based Morrison titration analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(Bms-986165 | Deucravacitinib)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
PDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565972
PNG
(CHEMBL4795231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(C)C)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565983
PNG
(CHEMBL4789015)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565982
PNG
(CHEMBL4792694)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(nn2)C(=O)N(C)C)c1OC
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565980
PNG
(CHEMBL4785512)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(cn2)C(=O)N(C)C)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565978
PNG
(CHEMBL4777528)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(=O)N(C)C)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565974
PNG
(CHEMBL4800399)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(CC)CC)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565987
PNG
(CHEMBL4793760)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncccn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565971
PNG
(CHEMBL4792231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(C)(C)O)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565968
PNG
(CHEMBL4799019)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(OC)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565984
PNG
(CHEMBL4780233)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565977
PNG
(CHEMBL4799559)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(C)(C)O)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565973
PNG
(CHEMBL4777175)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(c1OC)-c1ncc(cn1)C(C)(O)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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PubMed
n/an/a 0.440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565979
PNG
(CHEMBL4796821)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(cn2)C(C)(C)O)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM500292
PNG
(US11021475, Example 70)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
Show InChI InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
PDB

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PDB
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PDB
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n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM500294
PNG
(US11021475, Example 75)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC
Show InChI InChI=1S/C21H21N7O3/c1-22-21(30)18-15(10-17(27-28-18)26-20(29)12-6-7-12)25-14-5-3-4-13(19(14)31-2)16-11-23-8-9-24-16/h3-5,8-12H,6-7H2,1-2H3,(H,22,30)(H2,25,26,27,29)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565975
PNG
(CHEMBL4784838)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(c1OC)-c1ncc(cn1)C(C)(C)O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.510n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565976
PNG
(CHEMBL4792780)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(cn2)C(=O)N(C)C)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.520n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565985
PNG
(CHEMBL4780315)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 0.540n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565981
PNG
(CHEMBL4797596)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(nn2)C(C)(C)O)c1OC
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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PubMed
n/an/a 0.710n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565966
PNG
(CHEMBL4785957)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C)cn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565965
PNG
(CHEMBL4777648)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccncn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565970
PNG
(CHEMBL4776752)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(OC)n2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565964
PNG
(CHEMBL4788122)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cccnn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565963
PNG
(CHEMBL4799830)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccccn2)c1OC
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565967
PNG
(CHEMBL4784391)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565969
PNG
(CHEMBL4780057)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(C)n2)c1OC
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 JH2 domain (unknown origin) by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(Bms-986165 | Deucravacitinib)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565978
PNG
(CHEMBL4777528)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(=O)N(C)C)c1OC
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565983
PNG
(CHEMBL4789015)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565972
PNG
(CHEMBL4795231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(C)C)c1OC
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
PDB

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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK1 JH2 domain (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565974
PNG
(CHEMBL4800399)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(=O)N(CC)CC)c1OC
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n/an/a 8.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565973
PNG
(CHEMBL4777175)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(c1OC)-c1ncc(cn1)C(C)(O)C(F)(F)F
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TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565971
PNG
(CHEMBL4792231)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(cn2)C(C)(C)O)c1OC
PDB

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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565976
PNG
(CHEMBL4792780)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(cn2)C(=O)N(C)C)c1OC
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
PDB

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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565982
PNG
(CHEMBL4792694)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(nn2)C(=O)N(C)C)c1OC
PDB

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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565979
PNG
(CHEMBL4796821)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(cn2)C(C)(C)O)c1OC
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565986
PNG
(CHEMBL4789639)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
PDB

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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IL-23 stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565966
PNG
(CHEMBL4785957)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C)cn2)c1OC
PDB

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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565968
PNG
(CHEMBL4799019)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(OC)cn2)c1OC
PDB

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TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565980
PNG
(CHEMBL4785512)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(cn2)C(=O)N(C)C)c1OC
PDB

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565977
PNG
(CHEMBL4799559)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(cn2)C(C)(C)O)c1OC
PDB

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TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565981
PNG
(CHEMBL4797596)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(nn2)C(C)(C)O)c1OC
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM500292
PNG
(US11021475, Example 70)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
Show InChI InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50565987
PNG
(CHEMBL4793760)
Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncccn2)c1OC
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in IFN-alpha stimulated human Kit225 T cells by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(Bms-986165 | Deucravacitinib)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01698
BindingDB Entry DOI: 10.7270/Q2XW4PJX
More data for this
Ligand-Target Pair
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