BindingDB logo
myBDB logout

BDBM50266510 2-(2-acetylthiophen-3-ylcarbamoyl)benzoate::cid_2808378

SMILES: CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O

InChI Key: InChIKey=JBPSIUJQSLGDHC-UHFFFAOYSA-M

Data: 4 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 4 hits for monomerid = 50266510   
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
photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.98E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Prion protein


(Homo sapiens (Human))
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.09E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
nuclear receptor corepressor 2 isoform 2


(Homo sapiens (Human))
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.03E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair