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Compile Data Set for Download or QSAR

Found 72 hits from DAIS   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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0.25n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147751
PNG
(CHEMBL3763168)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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0.310n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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0.350n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147753
PNG
(CHEMBL3765532)
Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC
Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)
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0.610n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147753
PNG
(CHEMBL3765532)
Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC
Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)
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0.670n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147764
PNG
(CHEMBL3764181)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Br)ccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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1.30n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147754
PNG
(CHEMBL3764087)
Show SMILES COc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-13-12(8-10)14(19)18(15(23)17-13)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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1.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147761
PNG
(CHEMBL3765739)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(F)cccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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2.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147734
PNG
(CHEMBL3763880)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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2.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147754
PNG
(CHEMBL3764087)
Show SMILES COc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-13-12(8-10)14(19)18(15(23)17-13)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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3.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147763
PNG
(CHEMBL3765404)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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4.60n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147765
PNG
(CHEMBL3765244)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Br)cccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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4.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147756
PNG
(CHEMBL3763255)
Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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5.10n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.10n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147736
PNG
(CHEMBL3763861)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147751
PNG
(CHEMBL3763168)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147762
PNG
(CHEMBL3765033)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(I)cccc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
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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5.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147765
PNG
(CHEMBL3765244)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Br)cccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.80n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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5.90n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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6.80n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147734
PNG
(CHEMBL3763880)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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6.90n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147756
PNG
(CHEMBL3763255)
Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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7.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147762
PNG
(CHEMBL3765033)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(I)cccc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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7.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147761
PNG
(CHEMBL3765739)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(F)cccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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7.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147763
PNG
(CHEMBL3765404)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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7.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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9n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147754
PNG
(CHEMBL3764087)
Show SMILES COc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-13-12(8-10)14(19)18(15(23)17-13)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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9.40n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147755
PNG
(CHEMBL3764423)
Show SMILES COc1ccc2c(c1)nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-12-13(8-10)17-15(23)18(14(12)19)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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10n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147757
PNG
(CHEMBL3764536)
Show SMILES Cc1cc(C)c2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C16H15N3O3S2/c1-9-7-10(2)14-13(8-9)15(20)19(16(23)18-14)11-3-5-12(6-4-11)24(17,21)22/h3-8H,1-2H3,(H,18,23)(H2,17,21,22)
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11n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
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



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50147753
PNG
(CHEMBL3765532)
Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC
Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)
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13n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147762
PNG
(CHEMBL3765033)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(I)cccc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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15n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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16n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147757
PNG
(CHEMBL3764536)
Show SMILES Cc1cc(C)c2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C16H15N3O3S2/c1-9-7-10(2)14-13(8-9)15(20)19(16(23)18-14)11-3-5-12(6-4-11)24(17,21)22/h3-8H,1-2H3,(H,18,23)(H2,17,21,22)
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18n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147764
PNG
(CHEMBL3764181)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Br)ccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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22n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
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



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147755
PNG
(CHEMBL3764423)
Show SMILES COc1ccc2c(c1)nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-12-13(8-10)17-15(23)18(14(12)19)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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33n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147765
PNG
(CHEMBL3765244)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Br)cccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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33n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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34n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147734
PNG
(CHEMBL3763880)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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35n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147736
PNG
(CHEMBL3763861)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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35n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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36n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147757
PNG
(CHEMBL3764536)
Show SMILES Cc1cc(C)c2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C16H15N3O3S2/c1-9-7-10(2)14-13(8-9)15(20)19(16(23)18-14)11-3-5-12(6-4-11)24(17,21)22/h3-8H,1-2H3,(H,18,23)(H2,17,21,22)
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39n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147751
PNG
(CHEMBL3763168)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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44n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147755
PNG
(CHEMBL3764423)
Show SMILES COc1ccc2c(c1)nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-12-13(8-10)17-15(23)18(14(12)19)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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45n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
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