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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM15222'   
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 9


(Homo sapiens (Human))
BDBM15222
PNG
(4-Azidobenzenesulfonamide | 4-azidobenzene-1-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C6H6N4O2S/c7-10-9-5-1-3-6(4-2-5)13(8,11)12/h1-4H,(H2,8,11,12)
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MMDB

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Article
PubMed
105n/an/an/an/an/an/an/an/a



Griffith University



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 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM15222
PNG
(4-Azidobenzenesulfonamide | 4-azidobenzene-1-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C6H6N4O2S/c7-10-9-5-1-3-6(4-2-5)13(8,11)12/h1-4H,(H2,8,11,12)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
105n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 2273-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.086
BindingDB Entry DOI: 10.7270/Q2QF8TSW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM15222
PNG
(4-Azidobenzenesulfonamide | 4-azidobenzene-1-sulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C6H6N4O2S/c7-10-9-5-1-3-6(4-2-5)13(8,11)12/h1-4H,(H2,8,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
105n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned catalytic domain CA9 by CO2 hydration method


Bioorg Med Chem Lett 17: 5032-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.024
BindingDB Entry DOI: 10.7270/Q2M0467B
More data for this
Ligand-Target Pair