BDBM26188 α-CA inhibitor, 12::1,2-Dihydroxybenzene, XI::1,2-dihydroxybenzene::CHEMBL280998::benzene-1,2-diol::phenol derivative, 2

SMILES Oc1ccccc1O

InChI Key InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N

Data  50 KI  5 IC50  1 ITC

PDB links: 22 PDB IDs match this monomer.

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 55 hits for monomerid = 26188   

TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  3.48E+3nMAssay Description:Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.20E+3nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.20E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  5.79E+3nMpH: 7.4Assay Description:CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.50E+3nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  8.90E+3nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  8.90E+3nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.90E+3nM ΔG°:  -6.82kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of human CA2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.90E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.91E+3nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  9.92E+3nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
TargetCarbonic anhydrase 15(Mus musculus)
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.02E+4nMAssay Description:Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.09E+4nMAssay Description:Inhibition of human CA4 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.09E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.09E+4nMAssay Description:Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.09E+4nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.14E+4nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.19E+4nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.22E+4nMAssay Description:Inhibition of mouse CA13 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.22E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.30E+4nMAssay Description:Inhibition of human CA3 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.30E+4nM ΔG°:  -6.66kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase(Dicentrarchus labrax)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.48E+4nMAssay Description:Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
TargetProlyl 4-hydroxylase subunit alpha-1(Gallus gallus (Chicken))
University of Oulu

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.89E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Universita degli Studi di Firenze

LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.89E+4nMAssay Description:Inhibition of human CA14 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  5.51E+4nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  5.51E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Balikesir University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.15E+5nMAssay Description:Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Balikesir University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.15E+5nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Balikesir University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  1.15E+5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.06E+5nMAssay Description:Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.06E+5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.06E+5nMAssay Description:Inhibition of human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ondokuz Mayis University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.08E+5nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  6.30E+5nMAssay Description:Inhibition constant for binding to Zn2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coliMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  7.14E+5nMAssay Description:Inhibition of human CA7 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  7.14E+5nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
Target3-dehydroquinate synthase(Escherichia coli (strain K12))
Michigan State University

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  8.80E+5nMAssay Description:Inhibition constant for binding to Co2+ form of 3-dehydroquinate synthase (DHQ) purified from E. coliMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of human CA1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nM ΔG°:  -3.27kcal/molepH: 7.4 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.00E+6nMAssay Description:Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.01E+6nMAssay Description:Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Affinity DataKi:  4.01E+6nMpH: 7.4Assay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26188   

HostPNGBDBM36284(BDBM36303 | BDBM36310 | Methyl Viologen-Cucurbit[8...)
University of Cambridge

GuestPNGBDBM26188(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
ITC DataΔG°: -5.48kcal/mole logk: 1.00E+4
pH: 7.0 T: 25.00°C