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SMILES: CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1

InChI Key: InChIKey=BZVIIPOKCSDKTI-PSASIEDQSA-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 = 50441544   
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 JAK2


(Homo sapiens (Human))
BDBM50441544
PNG
(CHEMBL2436939)
Show SMILES CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
Show InChI InChI=1S/C14H16N6O/c1-16-14-19-11-9(5-6-17-13(11)21)12(20-14)18-10-4-2-3-8(10)7-15/h5-6,8,10H,2-4H2,1H3,(H,17,21)(H2,16,18,19,20)/t8-,10-/m1/s1
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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50441544
PNG
(CHEMBL2436939)
Show SMILES CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
Show InChI InChI=1S/C14H16N6O/c1-16-14-19-11-9(5-6-17-13(11)21)12(20-14)18-10-4-2-3-8(10)7-15/h5-6,8,10H,2-4H2,1H3,(H,17,21)(H2,16,18,19,20)/t8-,10-/m1/s1
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PubMed
4.60n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50441544
PNG
(CHEMBL2436939)
Show SMILES CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
Show InChI InChI=1S/C14H16N6O/c1-16-14-19-11-9(5-6-17-13(11)21)12(20-14)18-10-4-2-3-8(10)7-15/h5-6,8,10H,2-4H2,1H3,(H,17,21)(H2,16,18,19,20)/t8-,10-/m1/s1
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) assessed as reduction of IL6-induced STAT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50441544
PNG
(CHEMBL2436939)
Show SMILES CNc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
Show InChI InChI=1S/C14H16N6O/c1-16-14-19-11-9(5-6-17-13(11)21)12(20-14)18-10-4-2-3-8(10)7-15/h5-6,8,10H,2-4H2,1H3,(H,17,21)(H2,16,18,19,20)/t8-,10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) assessed as reduction of EPO-induced STAT5 phosphorylation by cell based assay


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair