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SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12

InChI Key: InChIKey=RHJNQTDEEXCGSA-UHFFFAOYSA-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 6 hits for monomerid = 50295902   
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
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PKCE expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKK2 expressed in Bac-to Bac baculovirus system


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a 760n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-GSK3beta expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50295902
PNG
(3-(1-Methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-4-(1-(3...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN3CCOCC3)c3ccccc23)c2ncccc12 |t:4|
Show InChI InChI=1S/C27H27N5O3/c1-30-16-20(25-22(30)8-4-9-28-25)24-23(26(33)29-27(24)34)19-17-32(21-7-3-2-6-18(19)21)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,29,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A expressed in Escherichia coli


Bioorg Med Chem 17: 4302-12 (2009)


Article DOI: 10.1016/j.bmc.2009.05.031
BindingDB Entry DOI: 10.7270/Q2XP750M
More data for this
Ligand-Target Pair