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PubMed code 20036446

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50312536
PNG
(CHEMBL1076889 | sodiumperfluorohexanesulfonamide)
Show SMILES [NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C6HF13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H-,20,21,22)/q-1
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PC cid
PC sid
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Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron UMR CNRS 5247 Universit£ de Montpellier I et de Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as conversion of 4-nitrophenyl acetate to 4-nitrophnolate after 5 mins


Eur J Med Chem 45: 1225-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.052
BindingDB Entry DOI: 10.7270/Q23778V4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
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)
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Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Institut des Biomol£cules Max Mousseron UMR CNRS 5247 Universit£ de Montpellier I et de Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as conversion of 4-nitrophenyl acetate to 4-nitrophnolate after 5 mins


Eur J Med Chem 45: 1225-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.052
BindingDB Entry DOI: 10.7270/Q23778V4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%