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BDBM51954 (2-benzoyl-1H-pyrrol-1-yl)acetic acid::2-(2-benzoyl-1-pyrrolyl)acetic acid::2-(2-benzoylpyrrol-1-yl)acetic acid::2-[2-(phenylcarbonyl)pyrrol-1-yl]ethanoic acid::CHEMBL335619::MLS000095834::SMR000031382::cid_3239785

SMILES: OC(=O)Cn1cccc1C(=O)c1ccccc1

InChI Key: InChIKey=IIBKYEGOAYTTFM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 51954   
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
Aldose reductase


(Rattus norvegicus)
BDBM51954
PNG
((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...)
Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of partially purified Fischer-344 rat kidney ALR1 using D,L-glycuronate as substrate assessed as NADPH consumption by spectrophotometry


Bioorg Med Chem 21: 4951-7 (2013)


Article DOI: 10.1016/j.bmc.2013.06.062
BindingDB Entry DOI: 10.7270/Q28S4RCK
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51954
PNG
((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...)
Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.29E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2X63KBQ
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51954
PNG
((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...)
Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.96E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2J101MD
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51954
PNG
((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...)
Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.04E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2NS0S90
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51954
PNG
((2-benzoyl-1H-pyrrol-1-yl)acetic acid | 2-(2-benzo...)
Show SMILES OC(=O)Cn1cccc1C(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO3/c15-12(16)9-14-8-4-7-11(14)13(17)10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.96E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2SF2TM0
More data for this
Ligand-Target Pair