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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 5A, mitochondrial' and Ligand = 'BDBM10881'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 5A, mitochondrial


(Mus musculus (mouse))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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Article
PubMed
63 -40.4n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Mus musculus (mouse))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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Article
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63n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay 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...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5A by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.038
BindingDB Entry DOI: 10.7270/Q2JW8FS8
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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65n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human full length carbonic anhydrase 5A by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 2669-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.023
BindingDB Entry DOI: 10.7270/Q23R0TRX
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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Article
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65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
BindingDB Entry DOI: 10.7270/Q2930TF6
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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Article
PubMed
65n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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Article
PubMed
65n/an/an/an/an/an/an/an/a



Universite Montpellier II



Assay 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...


J Med Chem 49: 7024-31 (2006)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q24T6GKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
Reactome pathway
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Article
PubMed
65n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay 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...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q2902200
More data for this
Ligand-Target Pair