BDBM50260103 Benzo[C][1,2]Oxaborol-1(3H)-Ol::Benzoxaborole::CHEBI:78238

SMILES B1(c2ccccc2CO1)O

InChI Key InChIKey=XOQABDOICLHPIS-UHFFFAOYSA-N

Data  9 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50260103   

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

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  174nMAssay 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
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  260nMAssay 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 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  5.69E+3nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  5.69E+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
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  8.18E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  8.18E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi:  8.18E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50260103(CHEBI:78238 | Benzo[C][1,2]Oxaborol-1(3H)-Ol | Ben...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed