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PubMed code 23266178

Compile data set for download or QSAR
Found 115 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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120n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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130n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428808
PNG
(CHEMBL229189 | N-(Cyclopropylsulfamoyl)Cyclopropan...)
Show SMILES O=S(=O)(NC1CC1)NC1CC1
Show InChI InChI=1S/C6H12N2O2S/c9-11(10,7-5-1-2-5)8-6-3-4-6/h5-8H,1-4H2
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160n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428814
PNG
(CHEMBL229904)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
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170n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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300n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428813
PNG
(CHEMBL375030)
Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)
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320n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428807
PNG
(CHEMBL388325 | N-(Cyclohexylsulfamoyl)Cyclohexanam...)
Show SMILES O=S(=O)(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2
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320n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428812
PNG
(BENZYL(BENZYLSULFAMOYL)AMINE | N,N''-Dibenzylsulfa...)
Show SMILES O=S(=O)(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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380n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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410n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428806
PNG
(4-(Morpholinosulfonyl)Morpholine | 4-Morpholinosul...)
Show SMILES O=S(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
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470n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428812
PNG
(BENZYL(BENZYLSULFAMOYL)AMINE | N,N''-Dibenzylsulfa...)
Show SMILES O=S(=O)(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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650n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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690n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428817
PNG
(CHEMBL2335232 | Hexyl Sulfamate)
Show SMILES CCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
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700n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428807
PNG
(CHEMBL388325 | N-(Cyclohexylsulfamoyl)Cyclohexanam...)
Show SMILES O=S(=O)(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2
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700n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428817
PNG
(CHEMBL2335232 | Hexyl Sulfamate)
Show SMILES CCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
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730n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428808
PNG
(CHEMBL229189 | N-(Cyclopropylsulfamoyl)Cyclopropan...)
Show SMILES O=S(=O)(NC1CC1)NC1CC1
Show InChI InChI=1S/C6H12N2O2S/c9-11(10,7-5-1-2-5)8-6-3-4-6/h5-8H,1-4H2
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770n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428817
PNG
(CHEMBL2335232 | Hexyl Sulfamate)
Show SMILES CCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
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820n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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840n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428816
PNG
(2-Propylpentyl Sulfamate | CHEMBL2335233)
Show SMILES CCCC(CCC)COS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
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860n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428816
PNG
(2-Propylpentyl Sulfamate | CHEMBL2335233)
Show SMILES CCCC(CCC)COS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
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890n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428814
PNG
(CHEMBL229904)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
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890n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428813
PNG
(CHEMBL375030)
Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)
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910n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50124161
PNG
(CHEMBL168526 | N-benzylsulfamide)
Show SMILES NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
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940n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428816
PNG
(2-Propylpentyl Sulfamate | CHEMBL2335233)
Show SMILES CCCC(CCC)COS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
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1.92E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428817
PNG
(CHEMBL2335232 | Hexyl Sulfamate)
Show SMILES CCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
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2.82E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428816
PNG
(2-Propylpentyl Sulfamate | CHEMBL2335233)
Show SMILES CCCC(CCC)COS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
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2.98E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428815
PNG
(1-[Propyl(Sulfamoyl)Amino]Propane | CHEMBL229954 |...)
Show SMILES CCCN(CCC)S(N)(=O)=O
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-8(6-4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
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3.53E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428817
PNG
(CHEMBL2335232 | Hexyl Sulfamate)
Show SMILES CCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9)
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3.66E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428816
PNG
(2-Propylpentyl Sulfamate | CHEMBL2335233)
Show SMILES CCCC(CCC)COS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
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4.30E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428809
PNG
(CHEMBL229740 | N,N''-Dipropylsulfamide)
Show SMILES CCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
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4.69E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
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5.38E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428799
PNG
(CHEMBL450699 | Methyl 2-(Tert-Butoxycarbonylsulfam...)
Show SMILES COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C8H16N2O6S/c1-8(2,3)16-7(12)10-17(13,14)9-5-6(11)15-4/h9H,5H2,1-4H3,(H,10,12)
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5.92E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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6.64E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428807
PNG
(CHEMBL388325 | N-(Cyclohexylsulfamoyl)Cyclohexanam...)
Show SMILES O=S(=O)(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2
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6.64E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428813
PNG
(CHEMBL375030)
Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)
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6.88E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428815
PNG
(1-[Propyl(Sulfamoyl)Amino]Propane | CHEMBL229954 |...)
Show SMILES CCCN(CCC)S(N)(=O)=O
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-8(6-4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
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7.10E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428802
PNG
(CHEMBL501961)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC |r|
Show InChI InChI=1S/C8H16N2O6S/c1-5(7(11)15-3)9-17(13,14)10-6(2)8(12)16-4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
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7.66E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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7.97E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428798
PNG
(CHEMBL511132)
Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3
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8.09E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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8.37E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428803
PNG
(CHEMBL461137)
Show SMILES COC(=O)CCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H16N2O6S/c1-15-7(11)3-5-9-17(13,14)10-6-4-8(12)16-2/h9-10H,3-6H2,1-2H3
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8.40E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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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 human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428808
PNG
(CHEMBL229189 | N-(Cyclopropylsulfamoyl)Cyclopropan...)
Show SMILES O=S(=O)(NC1CC1)NC1CC1
Show InChI InChI=1S/C6H12N2O2S/c9-11(10,7-5-1-2-5)8-6-3-4-6/h5-8H,1-4H2
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8.79E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428814
PNG
(CHEMBL229904)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
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8.84E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428806
PNG
(4-(Morpholinosulfonyl)Morpholine | 4-Morpholinosul...)
Show SMILES O=S(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
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9.10E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428805
PNG
(CHEMBL441884)
Show SMILES CCCN(CCC)S(=O)(=O)N(CCC)CCC
Show InChI InChI=1S/C12H28N2O2S/c1-5-9-13(10-6-2)17(15,16)14(11-7-3)12-8-4/h5-12H2,1-4H3
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9.35E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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9.79E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428807
PNG
(CHEMBL388325 | N-(Cyclohexylsulfamoyl)Cyclohexanam...)
Show SMILES O=S(=O)(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2
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9.94E+3n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428815
PNG
(1-[Propyl(Sulfamoyl)Amino]Propane | CHEMBL229954 |...)
Show SMILES CCCN(CCC)S(N)(=O)=O
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-8(6-4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
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2.49E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428812
PNG
(BENZYL(BENZYLSULFAMOYL)AMINE | N,N''-Dibenzylsulfa...)
Show SMILES O=S(=O)(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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3.55E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428814
PNG
(CHEMBL229904)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
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4.04E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428798
PNG
(CHEMBL511132)
Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3
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4.11E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428806
PNG
(4-(Morpholinosulfonyl)Morpholine | 4-Morpholinosul...)
Show SMILES O=S(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
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4.88E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428813
PNG
(CHEMBL375030)
Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)
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5.26E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
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5.45E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428799
PNG
(CHEMBL450699 | Methyl 2-(Tert-Butoxycarbonylsulfam...)
Show SMILES COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C8H16N2O6S/c1-8(2,3)16-7(12)10-17(13,14)9-5-6(11)15-4/h9H,5H2,1-4H3,(H,10,12)
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5.57E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428799
PNG
(CHEMBL450699 | Methyl 2-(Tert-Butoxycarbonylsulfam...)
Show SMILES COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C8H16N2O6S/c1-8(2,3)16-7(12)10-17(13,14)9-5-6(11)15-4/h9H,5H2,1-4H3,(H,10,12)
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5.63E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428815
PNG
(1-[Propyl(Sulfamoyl)Amino]Propane | CHEMBL229954 |...)
Show SMILES CCCN(CCC)S(N)(=O)=O
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-8(6-4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
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6.03E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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6.12E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428798
PNG
(CHEMBL511132)
Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3
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6.22E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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6.50E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428798
PNG
(CHEMBL511132)
Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3
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6.54E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428810
PNG
(BUTYL(BUTYLSULFAMOYL)AMINE)
Show SMILES CCCCNS(=O)(=O)NCCCC
Show InChI InChI=1S/C8H20N2O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h9-10H,3-8H2,1-2H3
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6.63E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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6.87E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428803
PNG
(CHEMBL461137)
Show SMILES COC(=O)CCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H16N2O6S/c1-15-7(11)3-5-9-17(13,14)10-6-4-8(12)16-2/h9-10H,3-6H2,1-2H3
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7.08E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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7.30E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428812
PNG
(BENZYL(BENZYLSULFAMOYL)AMINE | N,N''-Dibenzylsulfa...)
Show SMILES O=S(=O)(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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8.15E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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8.87E+4n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428807
PNG
(CHEMBL388325 | N-(Cyclohexylsulfamoyl)Cyclohexanam...)
Show SMILES O=S(=O)(NC1CCCCC1)NC1CCCCC1
Show InChI InChI=1S/C12H24N2O2S/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-14H,1-10H2
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1.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428809
PNG
(CHEMBL229740 | N,N''-Dipropylsulfamide)
Show SMILES CCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
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1.24E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428806
PNG
(4-(Morpholinosulfonyl)Morpholine | 4-Morpholinosul...)
Show SMILES O=S(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
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1.35E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428814
PNG
(CHEMBL229904)
Show SMILES CC(C)(C)OC(=O)NS(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
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1.61E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428812
PNG
(BENZYL(BENZYLSULFAMOYL)AMINE | N,N''-Dibenzylsulfa...)
Show SMILES O=S(=O)(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,15-11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428811
PNG
(CHEMBL1630902)
Show SMILES O=S(=O)(NCCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,17-13-11-15-7-3-1-4-8-15)18-14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428803
PNG
(CHEMBL461137)
Show SMILES COC(=O)CCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H16N2O6S/c1-15-7(11)3-5-9-17(13,14)10-6-4-8(12)16-2/h9-10H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428804
PNG
(CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide)
Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC
Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428809
PNG
(CHEMBL229740 | N,N''-Dipropylsulfamide)
Show SMILES CCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428802
PNG
(CHEMBL501961)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC |r|
Show InChI InChI=1S/C8H16N2O6S/c1-5(7(11)15-3)9-17(13,14)10-6(2)8(12)16-4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428803
PNG
(CHEMBL461137)
Show SMILES COC(=O)CCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H16N2O6S/c1-15-7(11)3-5-9-17(13,14)10-6-4-8(12)16-2/h9-10H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428808
PNG
(CHEMBL229189 | N-(Cyclopropylsulfamoyl)Cyclopropan...)
Show SMILES O=S(=O)(NC1CC1)NC1CC1
Show InChI InChI=1S/C6H12N2O2S/c9-11(10,7-5-1-2-5)8-6-3-4-6/h5-8H,1-4H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428804
PNG
(CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide)
Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC
Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428805
PNG
(CHEMBL441884)
Show SMILES CCCN(CCC)S(=O)(=O)N(CCC)CCC
Show InChI InChI=1S/C12H28N2O2S/c1-5-9-13(10-6-2)17(15,16)14(11-7-3)12-8-4/h5-12H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428798
PNG
(CHEMBL511132)
Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428804
PNG
(CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide)
Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC
Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428805
PNG
(CHEMBL441884)
Show SMILES CCCN(CCC)S(=O)(=O)N(CCC)CCC
Show InChI InChI=1S/C12H28N2O2S/c1-5-9-13(10-6-2)17(15,16)14(11-7-3)12-8-4/h5-12H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428808
PNG
(CHEMBL229189 | N-(Cyclopropylsulfamoyl)Cyclopropan...)
Show SMILES O=S(=O)(NC1CC1)NC1CC1
Show InChI InChI=1S/C6H12N2O2S/c9-11(10,7-5-1-2-5)8-6-3-4-6/h5-8H,1-4H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428805
PNG
(CHEMBL441884)
Show SMILES CCCN(CCC)S(=O)(=O)N(CCC)CCC
Show InChI InChI=1S/C12H28N2O2S/c1-5-9-13(10-6-2)17(15,16)14(11-7-3)12-8-4/h5-12H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428809
PNG
(CHEMBL229740 | N,N''-Dipropylsulfamide)
Show SMILES CCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428799
PNG
(CHEMBL450699 | Methyl 2-(Tert-Butoxycarbonylsulfam...)
Show SMILES COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C8H16N2O6S/c1-8(2,3)16-7(12)10-17(13,14)9-5-6(11)15-4/h9H,5H2,1-4H3,(H,10,12)
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428804
PNG
(CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide)
Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC
Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428802
PNG
(CHEMBL501961)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC |r|
Show InChI InChI=1S/C8H16N2O6S/c1-5(7(11)15-3)9-17(13,14)10-6(2)8(12)16-4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428803
PNG
(CHEMBL461137)
Show SMILES COC(=O)CCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H16N2O6S/c1-15-7(11)3-5-9-17(13,14)10-6-4-8(12)16-2/h9-10H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428804
PNG
(CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide)
Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC
Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428809
PNG
(CHEMBL229740 | N,N''-Dipropylsulfamide)
Show SMILES CCCNS(=O)(=O)NCCC
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-7-11(9,10)8-6-4-2/h7-8H,3-6H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428811
PNG
(CHEMBL1630902)
Show SMILES O=S(=O)(NCCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,17-13-11-15-7-3-1-4-8-15)18-14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428815
PNG
(1-[Propyl(Sulfamoyl)Amino]Propane | CHEMBL229954 |...)
Show SMILES CCCN(CCC)S(N)(=O)=O
Show InChI InChI=1S/C6H16N2O2S/c1-3-5-8(6-4-2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428813
PNG
(CHEMBL375030)
Show SMILES CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C11H24N2O4S/c1-6-8-13(9-7-2)18(15,16)12-10(14)17-11(3,4)5/h6-9H2,1-5H3,(H,12,14)
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428811
PNG
(CHEMBL1630902)
Show SMILES O=S(=O)(NCCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,17-13-11-15-7-3-1-4-8-15)18-14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428797
PNG
(CHEMBL2335234)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C9H18N2O6S/c1-6(7(12)16-5)10-18(14,15)11-8(13)17-9(2,3)4/h6,10H,1-5H3,(H,11,13)/t6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428796
PNG
(CHEMBL466083 | Methyl 3-[(2-Hydroxyphenoxy)Sulfony...)
Show SMILES COC(=O)CCNS(=O)(=O)Oc1ccccc1O
Show InChI InChI=1S/C10H13NO6S/c1-16-10(13)6-7-11-18(14,15)17-9-5-3-2-4-8(9)12/h2-5,11-12H,6-7H2,1H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428811
PNG
(CHEMBL1630902)
Show SMILES O=S(=O)(NCCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,17-13-11-15-7-3-1-4-8-15)18-14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428805
PNG
(CHEMBL441884)
Show SMILES CCCN(CCC)S(=O)(=O)N(CCC)CCC
Show InChI InChI=1S/C12H28N2O2S/c1-5-9-13(10-6-2)17(15,16)14(11-7-3)12-8-4/h5-12H2,1-4H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428799
PNG
(CHEMBL450699 | Methyl 2-(Tert-Butoxycarbonylsulfam...)
Show SMILES COC(=O)CNS(=O)(=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C8H16N2O6S/c1-8(2,3)16-7(12)10-17(13,14)9-5-6(11)15-4/h9H,5H2,1-4H3,(H,10,12)
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428806
PNG
(4-(Morpholinosulfonyl)Morpholine | 4-Morpholinosul...)
Show SMILES O=S(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C8H16N2O4S/c11-15(12,9-1-5-13-6-2-9)10-3-7-14-8-4-10/h1-8H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428802
PNG
(CHEMBL501961)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC |r|
Show InChI InChI=1S/C8H16N2O6S/c1-5(7(11)15-3)9-17(13,14)10-6(2)8(12)16-4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428802
PNG
(CHEMBL501961)
Show SMILES COC(=O)[C@H](C)NS(=O)(=O)N[C@@H](C)C(=O)OC |r|
Show InChI InChI=1S/C8H16N2O6S/c1-5(7(11)15-3)9-17(13,14)10-6(2)8(12)16-4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50428811
PNG
(CHEMBL1630902)
Show SMILES O=S(=O)(NCCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C16H20N2O2S/c19-21(20,17-13-11-15-7-3-1-4-8-15)18-14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428800
PNG
(CHEMBL199831 | Methyl 3-(Butylsulfamoylamino)Propa...)
Show SMILES CCCCNS(=O)(=O)NCCC(=O)OC
Show InChI InChI=1S/C8H18N2O4S/c1-3-4-6-9-15(12,13)10-7-5-8(11)14-2/h9-10H,3-7H2,1-2H3
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>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428801
PNG
(CHEMBL471637)
Show SMILES COC(=O)[C@@H](NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC)C(C)C |r|
Show InChI InChI=1S/C12H24N2O6S/c1-7(2)9(11(15)19-5)13-21(17,18)14-10(8(3)4)12(16)20-6/h7-10,13-14H,1-6H3/t9-,10-/m0/s1
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UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



National University of La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1410-8 (2013)


Article DOI: 10.1016/j.bmc.2012.10.048
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%