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BDBM2686 3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione::Bisindolyl deriv. 24

SMILES: O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12

InChI Key: InChIKey=VKLVUAHQOFDKLR-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 10 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 4 hits for monomerid = 2686   
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Laboratoires Glaxo



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


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta


(Homo sapiens (Human))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
PDB

KEGG

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antibodypedia
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PC sid
UniChem
Article
PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



Scios, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CaMK2delta


Bioorg Med Chem Lett 18: 2395-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.058
BindingDB Entry DOI: 10.7270/Q2QZ2BVW
More data for this
Ligand-Target Pair
Phosphorylase Kinase


(Oryctolagus cuniculus (rabbit))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Laboratoires Glaxo



Assay Description
The activity of PK is measured by its ability to transfer from [gamma-32P]ATP to phosphorylase b.


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Rattus norvegicus (rat))
BDBM2686
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34)
PDB
MMDB

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PC cid
PC sid
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n/an/a 4.40E+3n/an/an/an/an/an/a



Laboratoires Glaxo



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Biol Chem 266: 15771-81 (1991)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2FF3QJ4
More data for this
Ligand-Target Pair