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BDBM50147468 3-(7-Azaindolyl)-4-arylmaleimide analogue::CHEMBL423323

SMILES: COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12

InChI Key: InChIKey=IBTJHABKSWXSHB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50147468   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
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Article
PubMed
n/an/a 20n/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
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
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Article
PubMed
n/an/a 6.00E+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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50147468
PNG
(3-(7-Azaindolyl)-4-arylmaleimide analogue | CHEMBL...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNS(N)(=O)=O)c2ncccc12 |t:9|
Show InChI InChI=1S/C21H21N5O5S/c1-31-16-8-3-2-6-14(16)17-18(21(28)25-20(17)27)15-12-26(11-5-10-24-32(22,29)30)19-13(15)7-4-9-23-19/h2-4,6-9,12,24H,5,10-11H2,1H3,(H2,22,29,30)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 890n/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