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BDBM159748 US9035074, 2

SMILES: CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12

InChI Key:

Data: 27 IC50

PDB links: 2 PDB IDs match this monomer.

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 27 hits for monomerid = 159748   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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US Patent
n/an/a 29n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...


US Patent US9035074 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP/JAK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 1.40E+3n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human STAT5-irf1-bla TF1 cells assessed as reduction in EPO-induced STAT5-signalling pre-incubated for 1 hrs before EPO additio...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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US Patent
n/an/a>1.00E+4n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...


US Patent US9035074 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G56
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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US Patent
n/an/a 1.25E+3n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...


US Patent US9035074 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G56
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 803n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of MAOA (unknown origin)


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
JAK1/JAK2/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 163n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK2/TYK2 in CD14+ human whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 45 mins followed...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 271n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 ...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 7.18E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP add...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 605n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 4 uM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB
MMDB

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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR2 expressed in Sf9 cells


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 163n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IFNgamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFN...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK1/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 2.51E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IL-10 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-10 ...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in CD8+ human whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by I...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 511n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-21 ...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 1.37E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubated for 45 mins followed by IL-12 ...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a>1.65E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-23 ...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK1/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 189n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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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 JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
BindingDB Entry DOI: 10.7270/Q2D79DTW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 5.10n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase XIAP/JAK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 36n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 480n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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n/an/a 160n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP/JAK1


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



GVK Biosciences Private Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...


J Med Chem 63: 7008-7032 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00359
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM159748
PNG
(US9035074, 2)
Show SMILES CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
PDB

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UniProtKB/SwissProt

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antibodypedia
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PDB
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US Patent
n/an/a 803n/an/an/an/a7.425



Pfizer Inc

US Patent


Assay Description
Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...


US Patent US9035074 (2015)


BindingDB Entry DOI: 10.7270/Q26H4G56
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)