BDBM26189 α-CA inhibitor, 13::1,3-Dihydroxybenzene, XII::1,3-dihydroxybenzene::CHEMBL24147::US9688816, 4::benzene-1,3-diol::phenol derivative, 3

SMILES Oc1cccc(O)c1

InChI Key InChIKey=GHMLBKRAJCXXBS-UHFFFAOYSA-N

Data  24 KI  8 IC50  1 Kd  1 ITC

PDB links: 18 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 26189   

TargetCarbonic anhydrase(Dicentrarchus labrax)
Gumushane University

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.42E+3nMAssay Description:Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.10E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.50E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.70E+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))
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.70E+3nM ΔG°:  -6.97kcal/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))
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.70E+3nMAssay Description:Inhibition of human erythrocytes CA2 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  8.70E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  9.40E+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 14(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  1.07E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Mus musculus (mouse))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.26E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.97E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ege University

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  1.96E+5nMpH: 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 25°C using a spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Bos taurus (Cattle))
Ege University

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  2.19E+5nMpH: 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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 15(Mus musculus)
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  3.85E+5nMAssay Description:Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  5.50E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  5.70E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 3(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.05E+5nM ΔG°:  -4.39kcal/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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.34E+5nMpH: 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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universita Degli Studi Di Firenze

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  6.44E+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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Agriibrahim£E£En University

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.95E+5nMAssay Description:Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Agriibrahim£E£En University

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.95E+5nM ΔG°:  -4.23kcal/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
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Agriibrahim£E£En University

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  7.95E+5nMAssay Description:Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Agriibrahim£E£En University

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  8.28E+5nMpH: 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
In DepthDetails ArticlePubMed
TargetProlyl 4-hydroxylase subunit alpha-1(Gallus gallus (Chicken))
University Of Oulu

LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKi:  1.02E+7nMAssay Description:Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Sabic Global Technologies

US Patent
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50: >2.50E+5nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEstrogen receptor beta(Homo sapiens (Human))
Sabic Global Technologies

US Patent
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50: >2.50E+5nMAssay Description:Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataKd:  8.69E+4nMAssay Description:Binding affinity to COX1 in sheep seminal vesicleMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
University Of Murcia

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50:  6.52E+5nMAssay Description:Inhibition of mushroom tyrosinase using L-dopa as substrate assessed as diphenolase activity by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
University Of Murcia

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50:  1.13E+6nMAssay Description:Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as monophenolase activity by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
University Of Murcia

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50:  1.44E+6nMAssay Description:Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosinase(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50: >3.00E+6nMAssay Description:Inhibition of human His-tagged tyrosinase expressed in HEK 293 cells using L-DOPA as substrate by MBTH based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50:  3.08E+4nMAssay Description:Inhibition of cyclooxygenase activity of COX1 in sheep seminal vesicle in presence of 1 mM phenol by cyclooxygenase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
University Of Pennsylvania School Of Medicine

Curated by ChEMBL
LigandPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of peroxidase activity of COX1 in heep seminal vesicle by TMPD assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 26189   

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

GuestPNGBDBM26189(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
ITC DataΔG°: -5.06kcal/mole logk: 5.20E+3
pH: 7.0 T: 25.00°C