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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM10888'   
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


(Saccharomyces cerevisiae)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
106n/an/an/an/an/an/an/an/a



Balikesir University

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay


Bioorg Med Chem 17: 1158-63 (2009)


Article DOI: 10.1016/j.bmc.2008.12.035
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Stylophora pistillata)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
UniProtKB/TrEMBL

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KEGG
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PC cid
PC sid
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UniChem

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Article
PubMed
645n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 710-4 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2010.11.124
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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MMDB

KEGG

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KEGG
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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.86E+3n/an/an/an/a7.425



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)


Article DOI: 10.1016/j.bioorg.2017.03.014
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
PDB
MMDB

KEGG

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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

n/an/an/a 4.26E+3n/a 1.43E+5 0.6117.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair