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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50027598   
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


(Candida albicans (Yeast))
BDBM26995
PNG
(CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...)
Show SMILES NS(N)(=O)=O
Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
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PC sid
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Article
PubMed
3.00E+5n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 6327-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.100
BindingDB Entry DOI: 10.7270/Q26D5SV7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM26994
PNG
(CHEMBL68253 | H2NSO3H | sulfamic acid)
Show SMILES NS(O)(=O)=O
Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)
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CHEMBL
MMDB
PC cid
PC sid
UniChem

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Article
PubMed
7.00E+5n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 6327-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.100
BindingDB Entry DOI: 10.7270/Q26D5SV7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM26997
PNG
(CHEMBL364571 | PhAsO3H2 | benzenarsonic acid | ben...)
Show SMILES O[As](O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
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PC cid
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UniChem

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Article
PubMed
3.08E+7n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 6327-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.100
BindingDB Entry DOI: 10.7270/Q26D5SV7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida albicans (Yeast))
BDBM26996
PNG
(CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...)
Show SMILES OB(O)c1ccccc1
Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
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UniProtKB/SwissProt

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DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.09E+7n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans carbonic anhydrase overexpressed in Escherichia coli BL21 (DE3) by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 18: 6327-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.100
BindingDB Entry DOI: 10.7270/Q26D5SV7
More data for this
Ligand-Target Pair