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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'entezari heravi' and Initial = 'y'   
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



University of Tehran

Curated by ChEMBL


Assay Description
The compound was tested in vivo for inhibition of gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
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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250n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240172
PNG
(CHEMBL4079998)
Show SMILES Nc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
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5.75E+4n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240172
PNG
(CHEMBL4079998)
Show SMILES Nc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
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5.78E+4n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240171
PNG
(CHEBI:16971 | CHEMBL3092389)
Show SMILES Oc1ccc(O)c(O)c1
Show InChI InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
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CHEMBL
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240173
PNG
(CHEMBL236138 | SR-1C12)
Show SMILES Oc1c(F)cc(F)cc1F
Show InChI InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240171
PNG
(CHEBI:16971 | CHEMBL3092389)
Show SMILES Oc1ccc(O)c(O)c1
Show InChI InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
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CHEMBL
MCE
KEGG
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity of gastric proton-pump enzyme H+/K+ ATPase was determined at 50 uM


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240173
PNG
(CHEMBL236138 | SR-1C12)
Show SMILES Oc1c(F)cc(F)cc1F
Show InChI InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Tehran

Curated by ChEMBL


Assay Description
Inhibitory activity against dog gastric proton-pump enzyme H+/K+ ATPase


Bioorg Med Chem 25: 2577-2582 (2017)


Article DOI: 10.1016/j.bmc.2017.03.026
BindingDB Entry DOI: 10.7270/Q2668GBV
More data for this
Ligand-Target Pair