BindingDB logo
myBDB logout

BDBM72275 (E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amino]-2-oxoethyl] ester O1-ethyl ester::(E)-but-2-enedioic acid O4-[2-(benzhydrylamino)-2-keto-ethyl] ester O1-ethyl ester::4-O-[2-(benzhydrylamino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate::MLS000374880::O4-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate::SMR000254234::cid_5889878

SMILES: CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=IAIQVESVEHEGDS-BUHFOSPRSA-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 = 72275   
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
Hsf1 protein


(Mus musculus)
BDBM72275
PNG
((E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amin...)
Show SMILES CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-2-26-19(24)13-14-20(25)27-15-18(23)22-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,21H,2,15H2,1H3,(H,22,23)/b14-13+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.34E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
BRCA1-associated RING domain protein 1


(Homo sapiens (Human))
BDBM72275
PNG
((E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amin...)
Show SMILES CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-2-26-19(24)13-14-20(25)27-15-18(23)22-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,21H,2,15H2,1H3,(H,22,23)/b14-13+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.90E+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/Q2DZ06SS
More data for this
Ligand-Target Pair
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM72275
PNG
((E)-2-butenedioic acid O4-[2-[(diphenylmethyl)amin...)
Show SMILES CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-2-26-19(24)13-14-20(25)27-15-18(23)22-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,21H,2,15H2,1H3,(H,22,23)/b14-13+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.28E+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/Q2PG1Q6D
More data for this
Ligand-Target Pair