BDBM50279657 CHEMBL4175131

SMILES OB1OCc2ccc(cc12)[N+]([O-])=O

InChI Key InChIKey=GFFKBQCIGADRSN-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50279657   

TargetCarbonic anhydrase(Cryptococcus neoformans var. grubii (Filobasidiell...)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  88nMAssay Description:Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase(Yeast)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  89nMAssay Description:Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  92nMAssay Description:Inhibition of human carbonic anhydrase XII catalytic domain assessed as inhibition constant incubated for 15 to 360 mins by stopped-flow CO2 hydratio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 9(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  94nMAssay Description:Inhibition of human carbonic anhydrase IX catalytic domain assessed as inhibition constant incubated for 15 to 360 mins by stopped-flow CO2 hydration...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  504nMAssay Description:Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  504nMAssay Description:Inhibition of human carbonic anhydrase II assessed as inhibition constant incubated for 15 to 360 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 2(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  504nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 30 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  6.35E+3nMAssay Description:Inhibition of human carbonic anhydrase I assessed as inhibition constant incubated for 15 to 360 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetCarbonic anhydrase 1(Human)
University of Montpellier

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279657BDBM50279657(CHEMBL4175131)
Affinity DataKi:  6.35E+3nMAssay Description:Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2020
Entry Details Article
PubMed