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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50152970'   
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 2


(Homo sapiens (Human))
BDBM50152970
PNG
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES O[N+]([O-])=O
Show InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
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Article
PubMed
3.50E+7n/an/an/an/an/an/an/an/a



Centre Scientifique de Monaco

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 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
BindingDB Entry DOI: 10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50152970
PNG
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES O[N+]([O-])=O
Show InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
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Article
PubMed
3.50E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 567-71 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.056
BindingDB Entry DOI: 10.7270/Q22R3SDV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50152970
PNG
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES O[N+]([O-])=O
Show InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
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Article
PubMed
3.50E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA II


Bioorg Med Chem Lett 14: 5769-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.063
BindingDB Entry DOI: 10.7270/Q24X58JJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50152970
PNG
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES O[N+]([O-])=O
Show InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
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CHEMBL
MMDB
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UniChem

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Article
PubMed
3.50E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli


Bioorg Med Chem Lett 14: 5435-9 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI: 10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50152970
PNG
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES O[N+]([O-])=O
Show InChI InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB

Reactome pathway
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CHEMBL
MMDB
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PC sid
UniChem

Patents


Similars

Article
PubMed
3.50E+7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against carbonic anhydrase II


Bioorg Med Chem Lett 14: 4563-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI: 10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)