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BDBM61086 3-[(E)-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-enyl]-2-hydroxy-1-benzopyran-4-one::3-[(E)-3-[4-(dimethylamino)phenyl]acryloyl]-2-hydroxy-chromone::3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxychromen-4-one::3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-oxidanyl-chromen-4-one::3-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-4-hydroxy-2H-chromen-2-one::MLS000682626::SMR000311983::cid_5379151

SMILES: CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1

InChI Key: InChIKey=RGEZPZWWPVZCIT-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 61086   
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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM61086
PNG
(3-[(E)-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-eny...)
Show SMILES CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2416VHJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens)
BDBM61086
PNG
(3-[(E)-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-eny...)
Show SMILES CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H17NO4/c1-21(2)14-10-7-13(8-11-14)9-12-16(22)18-19(23)15-5-3-4-6-17(15)25-20(18)24/h3-12,23H,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.95E+4n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair