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SMILES: CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O

InChI Key: InChIKey=QXUQZMDJJGCZDT-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50530396   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 0.950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [5-1181]


(Mus musculus)
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by fluorescence polarization assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human ERG by fluorescence polarization assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB

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antibodypedia
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB

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PC cid
PC sid
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Article
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n/an/a 0.950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
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n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [5-1181]


(Mus musculus)
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in mouse whole blood assessed as inhibition of IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB

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antibodypedia
antibodypedia
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n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 71n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50530396
PNG
(CHEMBL4544320)
Show SMILES CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
PDB

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PC cid
PC sid
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by...


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair