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SMILES: CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=AATBKSLPLAFVJV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50435519   
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 JAK1


(Homo sapiens (Human))
BDBM50435519
PNG
(CHEMBL2392493)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)
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Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50435519
PNG
(CHEMBL2392493)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)
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Article
PubMed
53n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50435519
PNG
(CHEMBL2392493)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)
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Article
PubMed
369n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50435519
PNG
(CHEMBL2392493)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1-mediated STAT3 phosphorylation in IL6-induced human TF1 cells


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair