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BDBM2582 3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione::Bisindolylmaleimide deriv. 4::CHEMBL291725

SMILES: CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

InChI Key: InChIKey=SWAWYMIKGOHZMR-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 2582   
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


(Rattus norvegicus (rat))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 177-84 (1992)


Article DOI: 10.1021/jm00079a024
BindingDB Entry DOI: 10.7270/Q2K64G8V
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a>5.00E+4n/an/an/an/a7.430



Laboratoires Glaxo



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Biol Chem 266: 15771-81 (1991)


BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 by radioactive deacetylase assay


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 by fluorescent deacetylase assay


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by fluorescent deacetylase assay


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM2582
PNG
(3,4-bis(1H-indol-3-yl)-1-methyl-2,5-dihydro-1H-pyr...)
Show SMILES CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
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n/an/a 2.41E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT2 by radioactive deacetylase assay


J Med Chem 49: 7307-16 (2006)


Article DOI: 10.1021/jm060118b
BindingDB Entry DOI: 10.7270/Q2TQ616P
More data for this
Ligand-Target Pair