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BDBM50324679 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID::2-acetamidothiophene-3-carboxylate::2-acetamidothiophene-3-carboxylic acid::CHEMBL1213612

SMILES: CC(=O)Nc1sccc1C(O)=O

InChI Key: InChIKey=RCEBHKDQZCVBTC-UHFFFAOYSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50324679   
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 AmpC


(Escherichia coli)
BDBM50324679
PNG
(2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID | 2-ace...)
Show SMILES CC(=O)Nc1sccc1C(O)=O
Show InChI InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
5.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry


Nat Chem Biol 2: 720-3 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)