BDBM50665277 CHEMBL6161869

SMILES CC(C)c1cccc(OCc2ccccc2[N+](=O)[O-])c(=O)c1

InChI Key InChIKey=BBJJKQRUPLAUHV-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50665277   

TargetCarbonic anhydrase 9(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi:  940nMAssay Description:Inhibition of human CA-IX incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 12(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi:  3.57E+3nMAssay Description:Inhibition of human CA-XII incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 7(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi:  6.18E+3nMAssay Description:Inhibition of human CA-VII incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 5A, mitochondrial(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi:  2.17E+4nMAssay Description:Inhibition of human CA-VA incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-II incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
"G. d'Annunzio" University of Chieti-Pescara

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50665277BDBM50665277(CHEMBL6161869)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CA-I incubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed