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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50000077   
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))
BDBM50240174
PNG
(CHEMBL4100248 | US9962398, Compound MST-147)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240176
PNG
(CHEMBL4092500 | US9962398, Compound MST-145)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
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0.940n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240175
PNG
(CHEMBL4071714 | US9962398, Compound MST-146)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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0.970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240178
PNG
(CHEMBL4090086 | US9962398, Compound MST-142)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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3.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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4.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240174
PNG
(CHEMBL4100248 | US9962398, Compound MST-147)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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6.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240176
PNG
(CHEMBL4092500 | US9962398, Compound MST-145)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
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6.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240182
PNG
(CHEMBL4088487 | US9962398, Compound MST-137)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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6.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240183
PNG
(CHEMBL4080618 | US9962398, Compound MST-135)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1
Show InChI InChI=1S/C13H11BrFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240190
PNG
(CHEMBL4082231 | US9962398, Compound MST-148)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
Show InChI InChI=1S/C13H8Cl5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240189
PNG
(CHEMBL4069119 | US9962398, Compound MST-140)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-6-10(12(16)11(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240178
PNG
(CHEMBL4090086 | US9962398, Compound MST-142)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240188
PNG
(CHEMBL4098655 | US9962398, Compound MST-136)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11FN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240181
PNG
(CHEMBL4060262 | US9962398, Compound MST-138)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-11-6-1-8(14(16,17)18)7-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240183
PNG
(CHEMBL4080618 | US9962398, Compound MST-135)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2F)cc1
Show InChI InChI=1S/C13H11BrFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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7.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240190
PNG
(CHEMBL4082231 | US9962398, Compound MST-148)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
Show InChI InChI=1S/C13H8Cl5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240188
PNG
(CHEMBL4098655 | US9962398, Compound MST-136)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11FN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240182
PNG
(CHEMBL4088487 | US9962398, Compound MST-137)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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7.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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7.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240184
PNG
(CHEMBL4066371 | US9962398, Compound MST-134)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

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: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240175
PNG
(CHEMBL4071714 | US9962398, Compound MST-146)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240176
PNG
(CHEMBL4092500 | US9962398, Compound MST-145)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H11ClN4O5S/c14-11-6-3-9(18(20)21)7-12(11)17-13(19)16-8-1-4-10(5-2-8)24(15,22)23/h1-7H,(H2,15,22,23)(H2,16,17,19)
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8.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240174
PNG
(CHEMBL4100248 | US9962398, Compound MST-147)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240175
PNG
(CHEMBL4071714 | US9962398, Compound MST-146)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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8.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240191
PNG
(CHEMBL1569032 | US9962398, Compound MST-143)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-2-1-3-11(8-9)17-13(18)16-10-4-6-12(7-5-10)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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8.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240180
PNG
(CHEMBL4096209 | US9962398, Compound MST-139)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240191
PNG
(CHEMBL1569032 | US9962398, Compound MST-143)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-2-1-3-11(8-9)17-13(18)16-10-4-6-12(7-5-10)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240180
PNG
(CHEMBL4096209 | US9962398, Compound MST-139)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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8.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50240189
PNG
(CHEMBL4069119 | US9962398, Compound MST-140)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-9-5-6-10(12(16)11(9)15)19-13(20)18-7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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9.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240181
PNG
(CHEMBL4060262 | US9962398, Compound MST-138)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F4N3O3S/c15-11-6-1-8(14(16,17)18)7-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240191
PNG
(CHEMBL1569032 | US9962398, Compound MST-143)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-2-1-3-11(8-9)17-13(18)16-10-4-6-12(7-5-10)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
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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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240185
PNG
(CHEMBL4101198)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240193
PNG
(CHEMBL4074460)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(I)cc2)c1
Show InChI InChI=1S/C13H12IN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240179
PNG
(CHEMBL1334282 | US9962398, Compound MST-141)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-11-3-1-2-4-12(11)17-13(18)16-9-5-7-10(8-6-9)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stoppe...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334354
PNG
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240177
PNG
(CHEMBL4097801 | US9962398, Compound MST-144)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C13H11Cl2N3O3S/c14-8-1-6-11(15)12(7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240178
PNG
(CHEMBL4090086 | US9962398, Compound MST-142)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C13H11F2N3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240187
PNG
(CHEMBL4060361)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2cccc(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-5-7-12(8-6-11)17-15(20)18-13-3-2-4-14(9-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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67n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240186
PNG
(CHEMBL4088593)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-2-4-10(8-12)16-13(18)15-9-3-1-5-11(7-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240192
PNG
(CHEMBL4080725)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-8-3-4-9-15(14)19-16(20)18-12-6-5-7-13(10-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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84n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146759
PNG
(3-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
Show InChI InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-2-1-3-6(4-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50240193
PNG
(CHEMBL4074460)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(I)cc2)c1
Show InChI InChI=1S/C13H12IN3O3S/c14-9-4-6-10(7-5-9)16-13(18)17-11-2-1-3-12(8-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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96n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopp...


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240186
PNG
(CHEMBL4088593)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-2-4-10(8-12)16-13(18)15-9-3-1-5-11(7-9)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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97n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 2569-2576 (2017)


Article DOI: 10.1016/j.bmc.2017.03.027
BindingDB Entry DOI: 10.7270/Q22F7QKP
More data for this
Ligand-Target Pair
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