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BDBM68466 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bromophenyl)ethanamide::MLS000057808::N-(4-bromophenyl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide::N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide::N-(4-bromophenyl)-2-succinimido-acetamide::SMR000063192::cid_2083990

SMILES: Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1

InChI Key: InChIKey=AIRNVSMLCFKUHW-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 68466   
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))
BDBM68466
PNG
(2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bro...)
Show SMILES Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM68466
PNG
(2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bro...)
Show SMILES Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2SX6BVP
More data for this
Ligand-Target Pair
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (Human))
BDBM68466
PNG
(2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-(4-bro...)
Show SMILES Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair