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SMILES: C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12

InChI Key:

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 85 hits for monomerid = 209866   
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
Tyrosine-protein kinase Tec


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 592n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human His-tagged TEC in presence of 1 mM ATP by KT178 probe based TR-FRET assay


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human PBMC assessed as inhibition of IL-15 induced STAT5 phosphorylation preincubated for 75 mins followed by IL-15 addition an...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 607n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged cytoplasmic BTK expressed in baculovirus expression system in presence of 1 mM ATP by KT236 pr...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged cytoplasmic BLK expressed in baculovirus expression system in presence of 1 mM ATP by KT236 pr...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 2.52E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human HER4 cytoplasmic domain expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged HER2 expressed in baculovirus expression system in presence of 1 mM ATP


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged full length MAP2K7 expressed in baculovirus infected Sf21 insect cells in presence of 1 mM ATP


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 106n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human whole blood assessed as free drug concentration required for inhibition of IL-15 induced STAT5 phosphorylation preincubat...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 1.64E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged cytoplasmic JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system using ...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged cytoplasmic JAK2 catalytic domain (809 to 1153+9 residues) expressed in baculovirus expression system usin...


J Med Chem 60: 1971-1993 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01694
BindingDB Entry DOI: 10.7270/Q2TX3JC2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


J Med Chem 62: 8973-8995 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


J Med Chem 62: 8973-8995 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


J Med Chem 62: 8973-8995 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH1 domain (unknown origin)


J Med Chem 62: 8973-8995 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 202n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 1 mM ATP by HTRF assa...


J Med Chem 62: 1054-1066 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01823
BindingDB Entry DOI: 10.7270/Q20G3PFP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 33n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem 27: 1646-1657 (2019)


Article DOI: 10.1016/j.bmc.2019.03.009
BindingDB Entry DOI: 10.7270/Q2PC35WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 0.300n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST tagged JAK3 kinase domain (781 to 1124 amino acids) expressed in insect cells in presence of ATP


Bioorg Med Chem Lett 29: 2034-2041 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.042
BindingDB Entry DOI: 10.7270/Q2H70KB6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29026XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 33.1n/an/an/an/an/an/a


TBA

Assay Description
JAK Caliper Enzyme Assay at 1 mM ATP: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half l...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29026XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 assessed as phosphorylation level in presence of 1 mM ATP


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK3 assessed as phosphorylation level in presence of 1 mM ATP


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system assessed as phosphorylation level in presence of 1 mM ATP


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127862
BindingDB Entry DOI: 10.7270/Q21V5JNK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00922
BindingDB Entry DOI: 10.7270/Q2H1361P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00922
BindingDB Entry DOI: 10.7270/Q2H1361P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00922
BindingDB Entry DOI: 10.7270/Q2H1361P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00922
BindingDB Entry DOI: 10.7270/Q2H1361P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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UniChem
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PubMed
n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
n/an/a 2.32n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US11111242, Example 5 | US2023034848...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
n/an/a 2.42n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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