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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50043646   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Vibrio cholerae)
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
UniProtKB/SwissProt

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MCE
KEGG
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PC sid
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Article
PubMed
27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 6706-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.037
BindingDB Entry DOI: 10.7270/Q2XP76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Saccharomyces cerevisiae)
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae carbonic anhydrase SceCA preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 6706-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.037
BindingDB Entry DOI: 10.7270/Q2XP76CZ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Methanobacterium thermoautotrophicum)
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.21E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Methanobacterium thermoautotrophicum beta-carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 23: 6706-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.037
BindingDB Entry DOI: 10.7270/Q2XP76CZ
More data for this
Ligand-Target Pair