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PubMed code 21420862

Compile data set for download or QSAR
Found 4 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))
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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12n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 6 hrs by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 2515-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.059
BindingDB Entry DOI: 10.7270/Q23R0T59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(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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900n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 6 hrs by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 2515-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.059
BindingDB Entry DOI: 10.7270/Q23R0T59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50340339
PNG
(3,3,3-trifluoro-2,2-dihydroxy-1-p-tolylpropan-1-on...)
Show SMILES Cc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F
Show InChI InChI=1S/C10H9F3O3/c1-6-2-4-7(5-3-6)8(14)9(15,16)10(11,12)13/h2-5,15-16H,1H3
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PC cid
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9.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 6 hrs by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 2515-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.059
BindingDB Entry DOI: 10.7270/Q23R0T59
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50340339
PNG
(3,3,3-trifluoro-2,2-dihydroxy-1-p-tolylpropan-1-on...)
Show SMILES Cc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F
Show InChI InChI=1S/C10H9F3O3/c1-6-2-4-7(5-3-6)8(14)9(15,16)10(11,12)13/h2-5,15-16H,1H3
PDB
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PC cid
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UniChem
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PubMed
4.10E+5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 6 hrs by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 2515-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.059
BindingDB Entry DOI: 10.7270/Q23R0T59
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%