BindingDB logo
myBDB logout

BDBM50274047 CHEMBL3613796

SMILES: OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1

InChI Key: InChIKey=KJEUORQIESDSSV-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 = 50274047   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase AmpC


(Escherichia coli)
BDBM50274047
PNG
(CHEMBL3613796)
Show SMILES OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1
Show InChI InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
50n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli AmpC using CENTA as substrate by spectrometry based Lineweaver-Burk plot analysis


Bioorg Med Chem 26: 2921-2927 (2018)


Article DOI: 10.1016/j.bmc.2018.04.055
BindingDB Entry DOI: 10.7270/Q25T3P0V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)