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BDBM50402417 CHEMBL2208024

SMILES: CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1

InChI Key: InChIKey=ZOTCIBXODUTCKF-UHFFFAOYSA-N

Data: 5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50402417   
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))
BDBM50402417
PNG
(CHEMBL2208024)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1
Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphorylation


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402417
PNG
(CHEMBL2208024)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1
Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
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n/an/a 956n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylation


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402417
PNG
(CHEMBL2208024)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1
Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
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n/an/a 14n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...


Eur J Med Chem 158: 593-619 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.024
BindingDB Entry DOI: 10.7270/Q2Z3229Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402417
PNG
(CHEMBL2208024)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1
Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
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n/an/a 6.5n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50402417
PNG
(CHEMBL2208024)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2cccc(c2)N2CCCCC2)n1
Show InChI InChI=1S/C23H25N5O/c1-17(29)25-19-10-8-18(9-11-19)22-12-13-24-23(27-22)26-20-6-5-7-21(16-20)28-14-3-2-4-15-28/h5-13,16H,2-4,14-15H2,1H3,(H,25,29)(H,24,26,27)
PDB

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PC sid
UniChem

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Article
PubMed
n/an/a>980n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair