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SMILES: O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1

InChI Key: InChIKey=WYLBFGSFUXMEGS-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211053   
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
Beta-lactamase


(Escherichia coli)
BDBM50211053
PNG
(CHEMBL226664 | N-{4-[3,4-bis(furan-2-amido)phenoxy...)
Show SMILES O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1
Show InChI InChI=1S/C27H19N3O7/c31-25(22-4-1-13-34-22)28-17-7-9-18(10-8-17)37-19-11-12-20(29-26(32)23-5-2-14-35-23)21(16-19)30-27(33)24-6-3-15-36-24/h1-16H,(H,28,31)(H,29,32)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Aggregate based-inhibition of Escherichia coli AmpC beta lactamase using stringent assay conditions in presence of 0.01% Triton X-100 detergent


J Med Chem 50: 2385-90 (2007)


Article DOI: 10.1021/jm061317y
BindingDB Entry DOI: 10.7270/Q2QC035D
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)
BDBM50211053
PNG
(CHEMBL226664 | N-{4-[3,4-bis(furan-2-amido)phenoxy...)
Show SMILES O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1
Show InChI InChI=1S/C27H19N3O7/c31-25(22-4-1-13-34-22)28-17-7-9-18(10-8-17)37-19-11-12-20(29-26(32)23-5-2-14-35-23)21(16-19)30-27(33)24-6-3-15-36-24/h1-16H,(H,28,31)(H,29,32)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergent


J Med Chem 50: 2385-90 (2007)


Article DOI: 10.1021/jm061317y
BindingDB Entry DOI: 10.7270/Q2QC035D
More data for this
Ligand-Target Pair