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BDBM50147467 3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-naphthalen-1-yl-pyrrole-2,5-dione::CHEMBL326688

SMILES: CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12

InChI Key: InChIKey=WLEWZWNDSXTRLZ-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50147467   
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 alpha type


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein kinase C-alpha using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit glycogen synthase kinase-3 beta using protein phosphatase inhibitor-2 as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Wuhan Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human protein kinase C eta


Eur J Med Chem 164: 448-470 (2019)


Article DOI: 10.1007/s00044-005-0126-y
BindingDB Entry DOI: 10.7270/Q2WH2SVB
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human protein kinase C-betaII using histone as substrate


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147467
PNG
(3-[1-(3-Dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2cccnc12 |t:9|
Show InChI InChI=1S/C26H24N4O2/c1-29(2)14-7-15-30-16-21(20-12-6-13-27-24(20)30)23-22(25(31)28-26(23)32)19-11-5-9-17-8-3-4-10-18(17)19/h3-6,8-13,16H,7,14-15H2,1-2H3,(H,28,31,32)
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C-gamma


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair