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SMILES: O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1

InChI Key: InChIKey=KGDNLTPRJGUGQS-UKRRQHHQSA-N

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 4 hits for monomerid = 50441546   
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))
BDBM50441546
PNG
(CHEMBL2436943)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c20-11-13-7-4-8-15(13)22-18-14-9-10-21-19(25)16(14)23-17(24-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15H,4,7-8H2,(H,21,25)(H,22,23,24)/t13-,15-/m1/s1
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3n/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))
BDBM50441546
PNG
(CHEMBL2436943)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c20-11-13-7-4-8-15(13)22-18-14-9-10-21-19(25)16(14)23-17(24-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15H,4,7-8H2,(H,21,25)(H,22,23,24)/t13-,15-/m1/s1
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18n/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))
BDBM50441546
PNG
(CHEMBL2436943)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c20-11-13-7-4-8-15(13)22-18-14-9-10-21-19(25)16(14)23-17(24-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15H,4,7-8H2,(H,21,25)(H,22,23,24)/t13-,15-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 800n/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))
BDBM50441546
PNG
(CHEMBL2436943)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H17N5O/c20-11-13-7-4-8-15(13)22-18-14-9-10-21-19(25)16(14)23-17(24-18)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15H,4,7-8H2,(H,21,25)(H,22,23,24)/t13-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 426n/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