BindingDB logo
myBDB logout

BDBM52777 MLS000559965::Methanesulfonic acid 3-oxo-2-[(E)-3-phenyl-prop-2-en-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester::SMR000439361::[(2Z)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] methanesulfonate::[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] methanesulfonate::cid_2015650::methanesulfonic acid [(2Z)-3-keto-2-[(E)-3-phenylprop-2-enylidene]coumaran-6-yl] ester::methanesulfonic acid [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-6-benzofuranyl] ester

SMILES: CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1

InChI Key: InChIKey=LLKOIOPUDUDOFR-FJGPGAONSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 52777   
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
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52777
PNG
(MLS000559965 | Methanesulfonic acid 3-oxo-2-[(E)-3...)
Show SMILES CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O5S/c1-24(20,21)23-14-10-11-15-17(12-14)22-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.83E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52777
PNG
(MLS000559965 | Methanesulfonic acid 3-oxo-2-[(E)-3...)
Show SMILES CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O5S/c1-24(20,21)23-14-10-11-15-17(12-14)22-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.46E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM52777
PNG
(MLS000559965 | Methanesulfonic acid 3-oxo-2-[(E)-3...)
Show SMILES CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O5S/c1-24(20,21)23-14-10-11-15-17(12-14)22-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.76E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D21W3H
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM52777
PNG
(MLS000559965 | Methanesulfonic acid 3-oxo-2-[(E)-3...)
Show SMILES CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O5S/c1-24(20,21)23-14-10-11-15-17(12-14)22-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.10E+4n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MS2
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM52777
PNG
(MLS000559965 | Methanesulfonic acid 3-oxo-2-[(E)-3...)
Show SMILES CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O5S/c1-24(20,21)23-14-10-11-15-17(12-14)22-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.59E+4n/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