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BDBM50195796 CHEMBL3910343

SMILES: OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1

InChI Key: InChIKey=NNTKTJCJOPINGZ-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50195796   
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


(Klebsiella pneumoniae)
BDBM50195796
PNG
(CHEMBL3910343)
Show SMILES OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Klebsiella pneumoniae)
BDBM50195796
PNG
(CHEMBL3910343)
Show SMILES OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
Show InChI InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
PDB

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a



UiT The Arctic University of Norway

Curated by ChEMBL


Assay Description
Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...


J Med Chem 59: 5542-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00660
BindingDB Entry DOI: 10.7270/Q2NP26CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)