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BDBM316524 US9617258, Example 12

SMILES: C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12

InChI Key:

Data: 10 IC50

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 12 hits for monomerid = 316524   
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 JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
US Patent
n/an/a 56.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged TYK2 expressed in baculovirus infected sf21 cells using 5FAM-KKSRGDYMTMQID as substrate in presence of 1 m...


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))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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UniChem
Article
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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 JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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PC cid
PC sid
UniChem
n/an/a 56.8n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in human whole blood assessed as inhibition of IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addi...


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))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
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PC sid
UniChem
Article
PubMed
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 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 JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 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 JAK1


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

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PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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 JAK3


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM316524
PNG
(US11111242, Example 12 | US9617258, Example 12)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged cytoplasmic JAK3 catalytic domain (781 to 1124 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