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BDBM50324678 CHEMBL1222314::thiophene-2-carboxylic acid

SMILES: OC(=O)c1cccs1

InChI Key: InChIKey=QERYCTSHXKAMIS-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs match 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 = 50324678   
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)
BDBM50324678
PNG
(CHEMBL1222314 | thiophene-2-carboxylic acid)
Show SMILES OC(=O)c1cccs1
Show InChI InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
PDB
MMDB

KEGG

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
4.00E+7n/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)