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BDBM60841 2-propenoic acid [4-(3-oxo-1H-isoindol-2-yl)phenyl] ester::4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl acrylate::MLS001077205::SMR000472988::[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl] prop-2-enoate::[4-(3-oxo-1H-isoindol-2-yl)phenyl] prop-2-enoate::acrylic acid [4-(1-ketoisoindolin-2-yl)phenyl] ester::cid_870529

SMILES: C=CC(=O)Oc1ccc(cc1)N1Cc2ccccc2C1=O

InChI Key: InChIKey=XGLFAPMVJRDUFA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 60841   
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
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)


(Saccharomyces cerevisiae S288c)
BDBM60841
PNG
(2-propenoic acid [4-(3-oxo-1H-isoindol-2-yl)phenyl...)
Show SMILES C=CC(=O)Oc1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H13NO3/c1-2-16(19)21-14-9-7-13(8-10-14)18-11-12-5-3-4-6-15(12)17(18)20/h2-10H,1,11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.33E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26D5RGW
More data for this
Ligand-Target Pair
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM60841
PNG
(2-propenoic acid [4-(3-oxo-1H-isoindol-2-yl)phenyl...)
Show SMILES C=CC(=O)Oc1ccc(cc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C17H13NO3/c1-2-16(19)21-14-9-7-13(8-10-14)18-11-12-5-3-4-6-15(12)17(18)20/h2-10H,1,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.16E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2F18X6W
More data for this
Ligand-Target Pair