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BDBM76553 5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester::5-nitrothiophene-2-carboxylic acid [2-keto-2-(o-anisidino)ethyl] ester::MLS001007423::SMR000352607::[2-(2-methoxyanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate::[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate::cid_2097446

SMILES: COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O

InChI Key: InChIKey=NIXOFIMSZROJDC-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 76553   
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
Caspase-3


(Homo sapiens (Human))
BDBM76553
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...)
Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.15E+4n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM76553
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...)
Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.94E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76553
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...)
Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.94E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76553
PNG
(5-nitro-2-thiophenecarboxylic acid [2-(2-methoxyan...)
Show SMILES COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O6S/c1-21-10-5-3-2-4-9(10)15-12(17)8-22-14(18)11-6-7-13(23-11)16(19)20/h2-7H,8H2,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.83E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair