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PubMed code 26795114

Compile data set for download or QSAR
Found 72 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 7


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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0.240n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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0.270n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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0.370n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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0.390n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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0.430n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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0.450n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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0.660n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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2.20n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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3.80n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
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



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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6.10n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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6.60n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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6.80n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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7.30n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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8n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
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



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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23n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
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



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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26n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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27n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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28n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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29n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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31n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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32n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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34n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(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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41n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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61n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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64n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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74n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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81n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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97n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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117n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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191n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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225n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
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



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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4.96E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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7.68E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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8.53E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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8.88E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500682
PNG
(CHEMBL3754185)
Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500681
PNG
(CHEMBL3754723)
Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16|
Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500678
PNG
(CHEMBL3752328)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500684
PNG
(CHEMBL3752046)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500674
PNG
(CHEMBL3752196)
Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500676
PNG
(CHEMBL3754636)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r|
Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500675
PNG
(CHEMBL3752037)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50500679
PNG
(CHEMBL3752852)
Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C
Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500683
PNG
(CHEBI:82431 | E952 | Sodium Cyclamate)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500680
PNG
(CHEMBL3752390)
Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50500677
PNG
(CHEMBL3754060)
Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 24: 894-901 (2016)


Article DOI: 10.1016/j.bmc.2016.01.012
BindingDB Entry DOI: 10.7270/Q27H1NKT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%