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PubMed code 17157501

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 12


(Homo sapiens (Human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
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1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12941
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/m1/s1
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1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50200451
PNG
(4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12939
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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3.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12932
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...)
Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,23-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12943
PNG
(4-sulfamoyl-N-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydr...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N5O8S/c1-29-17-15(25)14(24)13(23)12(30-17)8-22-7-10(20-21-22)6-19-16(26)9-2-4-11(5-3-9)31(18,27)28/h2-5,7,12-15,17,23-25H,6,8H2,1H3,(H,19,26)(H2,18,27,28)/t12-,13-,14+,15-,17+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12918
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)37-11-19-20(38-13(2)31)21(39-14(3)32)22(40-15(4)33)24(41-19)29-10-17(27-28-29)9-26-23(34)16-5-7-18(8-6-16)42(25,35)36/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,34)(H2,25,35,36)/t19-,20-,21+,22-,24-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12936
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H26N4O13S/c1-11(28)37-17-18(38-12(2)29)20(23(32)35-4)40-21(19(17)39-13(3)30)27-9-15(25-26-27)10-36-22(31)14-5-7-16(8-6-14)41(24,33)34/h5-9,17-21H,10H2,1-4H3,(H2,24,33,34)/t17-,18-,19+,20-,21+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12921
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12-,13+,14-,15-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12945
PNG
((1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyox...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-28-17-15(24)14(23)13(22)12(30-17)7-21-6-10(19-20-21)8-29-16(25)9-2-4-11(5-3-9)31(18,26)27/h2-6,12-15,17,22-24H,7-8H2,1H3,(H2,18,26,27)/t12-,13-,14+,15-,17+/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12933
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C18H23N5O9S/c1-9(25)20-14-16(27)15(26)13(7-24)32-17(14)23-6-11(21-22-23)8-31-18(28)10-2-4-12(5-3-10)33(19,29)30/h2-6,13-17,24,26-27H,7-8H2,1H3,(H,20,25)(H2,19,29,30)/t13-,14-,15-,16-,17-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12937
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C17H20N4O10S/c1-29-17(26)14-12(23)11(22)13(24)15(31-14)21-6-9(19-20-21)7-30-16(25)8-2-4-10(5-3-8)32(18,27)28/h2-6,11-15,22-24H,7H2,1H3,(H2,18,27,28)/t11-,12-,13+,14-,15+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12924
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20+,21+,22-,23-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12925
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12+,13+,14-,15-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50200449
PNG
(4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...)
Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C21H24N4O11S/c1-11(26)34-17-10-32-20(19(36-13(3)28)18(17)35-12(2)27)25-8-15(23-24-25)9-33-21(29)14-4-6-16(7-5-14)37(22,30)31/h4-8,17-20H,9-10H2,1-3H3,(H2,22,30,31)/t17-,18-,19+,20+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12920
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20-,21+,22-,23-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12940
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12938
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(hept...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C36H45N5O20S/c1-16(42)52-14-26-29(61-36-33(58-22(7)48)31(56-20(5)46)28(54-18(3)44)27(60-36)15-53-17(2)43)30(55-19(4)45)32(57-21(6)47)35(59-26)41-13-24(39-40-41)12-38-34(49)23-8-10-25(11-9-23)62(37,50)51/h8-11,13,26-33,35-36H,12,14-15H2,1-7H3,(H,38,49)(H2,37,50,51)/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12942
PNG
((2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-methoxy-2-[(...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H29N5O11S/c1-12(29)36-19-18(39-23(35-4)21(38-14(3)31)20(19)37-13(2)30)11-28-10-16(26-27-28)9-25-22(32)15-5-7-17(8-6-15)40(24,33)34/h5-8,10,18-21,23H,9,11H2,1-4H3,(H,25,32)(H2,24,33,34)/t18-,19-,20+,21-,23+/m1/s1
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8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12944
PNG
((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12917
PNG
(CHEMBL217569 | O-propynyl ester derivative 3 | Pro...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCC#C
Show InChI InChI=1S/C10H9NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h1,3-6H,7H2,(H2,11,13,14)
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8.30n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12934
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H27N5O12S/c1-11(29)37-17-18(38-12(2)30)20(23(33)36-4)40-22(19(17)39-13(3)31)28-10-15(26-27-28)9-25-21(32)14-5-7-16(8-6-14)41(24,34)35/h5-8,10,17-20,22H,9H2,1-4H3,(H,25,32)(H2,24,34,35)/t17-,18-,19+,20-,22+/m0/s1
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8.80n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12919
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12-,13+,14-,16-/m1/s1
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10n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12945
PNG
((1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyox...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H22N4O9S/c1-28-17-15(24)14(23)13(22)12(30-17)7-21-6-10(19-20-21)8-29-16(25)9-2-4-11(5-3-9)31(18,26)27/h2-6,12-15,17,22-24H,7-8H2,1H3,(H2,18,26,27)/t12-,13-,14+,15-,17+/m1/s1
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10.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12941
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/m1/s1
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10.8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12937
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C17H20N4O10S/c1-29-17(26)14-12(23)11(22)13(24)15(31-14)21-6-9(19-20-21)7-30-16(25)8-2-4-10(5-3-8)32(18,27)28/h2-6,11-15,22-24H,7H2,1H3,(H2,18,27,28)/t11-,12-,13+,14-,15+/m0/s1
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10.8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50200451
PNG
(4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14+/m1/s1
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10.9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12918
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)37-11-19-20(38-13(2)31)21(39-14(3)32)22(40-15(4)33)24(41-19)29-10-17(27-28-29)9-26-23(34)16-5-7-18(8-6-16)42(25,35)36/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,34)(H2,25,35,36)/t19-,20-,21+,22-,24-/m1/s1
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11n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12916
PNG
(CHEMBL386542 | N-(Prop-2-ynyl)-4-sulfamoylbenzamid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
Show InChI InChI=1S/C10H10N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h1,3-6H,7H2,(H,12,13)(H2,11,14,15)
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11.3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12919
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12-,13+,14-,16-/m1/s1
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11.4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50200448
PNG
(4-sulfamoyl-N-[1-((2S,3S,4R,5R)-3,4,5-trihydroxy-t...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H19N5O7S/c16-28(25,26)10-3-1-8(2-4-10)14(24)17-5-9-6-20(19-18-9)15-13(23)12(22)11(21)7-27-15/h1-4,6,11-13,15,21-23H,5,7H2,(H,17,24)(H2,16,25,26)/t11-,12-,13+,15+/m1/s1
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11.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50200450
PNG
(CHEMBL394021 | acetic acid (2S,3S,4R,5R)-4,5-diace...)
Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C21H25N5O10S/c1-11(27)34-17-10-33-21(19(36-13(3)29)18(17)35-12(2)28)26-9-15(24-25-26)8-23-20(30)14-4-6-16(7-5-14)37(22,31)32/h4-7,9,17-19,21H,8,10H2,1-3H3,(H,23,30)(H2,22,31,32)/t17-,18-,19+,21+/m1/s1
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11.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12930
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2-ac...)
Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H30N6O11S/c1-12(31)27-20-22(40-15(4)34)21(39-14(3)33)19(11-38-13(2)32)41-24(20)30-10-17(28-29-30)9-26-23(35)16-5-7-18(8-6-16)42(25,36)37/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,35)(H,27,31)(H2,25,36,37)/t19-,20-,21-,22-,24-/m1/s1
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13.1n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12923
PNG
(4-(4-Sulfamoylbenzamido)methyl-1-(beta-D-galactopy...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12+,13+,14-,16-/m1/s1
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14.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12922
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)37-11-19-20(38-13(2)31)21(39-14(3)32)22(40-15(4)33)24(41-19)29-10-17(27-28-29)9-26-23(34)16-5-7-18(8-6-16)42(25,35)36/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,34)(H2,25,35,36)/t19-,20+,21+,22-,24-/m1/s1
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14.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12931
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2-ac...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C18H24N6O8S/c1-9(26)21-14-16(28)15(27)13(8-25)32-18(14)24-7-11(22-23-24)6-20-17(29)10-2-4-12(5-3-10)33(19,30)31/h2-5,7,13-16,18,25,27-28H,6,8H2,1H3,(H,20,29)(H,21,26)(H2,19,30,31)/t13-,14-,15-,16-,18-/m1/s1
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19.7n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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22n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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24n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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27n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(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



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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43n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12923
PNG
(4-(4-Sulfamoylbenzamido)methyl-1-(beta-D-galactopy...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H21N5O8S/c17-30(27,28)10-3-1-8(2-4-10)15(26)18-5-9-6-21(20-19-9)16-14(25)13(24)12(23)11(7-22)29-16/h1-4,6,11-14,16,22-25H,5,7H2,(H,18,26)(H2,17,27,28)/t11-,12+,13+,14-,16-/m1/s1
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55n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12921
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12-,13+,14-,15-/m1/s1
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58n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12939
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1
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64n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12924
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20+,21+,22-,23-/m1/s1
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64n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50200449
PNG
(4-sulfamoyl-benzoic acid 1-((2S,3S,4R,5R)-3,4,5-tr...)
Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C21H24N4O11S/c1-11(26)34-17-10-32-20(19(36-13(3)28)18(17)35-12(2)27)25-8-15(23-24-25)9-33-21(29)14-4-6-16(7-5-14)37(22,30)31/h4-8,17-20H,9-10H2,1-3H3,(H2,22,30,31)/t17-,18-,19+,20+/m1/s1
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67n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50200450
PNG
(CHEMBL394021 | acetic acid (2S,3S,4R,5R)-4,5-diace...)
Show SMILES CC(=O)O[C@@H]1CO[C@@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C21H25N5O10S/c1-11(27)34-17-10-33-21(19(36-13(3)29)18(17)35-12(2)28)26-9-15(24-25-26)8-23-20(30)14-4-6-16(7-5-14)37(22,31)32/h4-7,9,17-19,21H,8,10H2,1-3H3,(H,23,30)(H2,22,31,32)/t17-,18-,19+,21+/m1/s1
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71n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12932
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...)
Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,23-/m1/s1
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71n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12940
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1
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73n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12944
PNG
((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1
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74n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12933
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C18H23N5O9S/c1-9(25)20-14-16(27)15(26)13(7-24)32-17(14)23-6-11(21-22-23)8-31-18(28)10-2-4-12(5-3-10)33(19,29)30/h2-6,13-17,24,26-27H,7-8H2,1H3,(H,20,25)(H2,19,29,30)/t13-,14-,15-,16-,17-/m1/s1
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75n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12942
PNG
((2R,3R,4S,5R,6S)-4,5-bis(acetyloxy)-6-methoxy-2-[(...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H29N5O11S/c1-12(29)36-19-18(39-23(35-4)21(38-14(3)31)20(19)37-13(2)30)11-28-10-16(26-27-28)9-25-22(32)15-5-7-17(8-6-15)40(24,33)34/h5-8,10,18-21,23H,9,11H2,1-4H3,(H,25,32)(H2,24,33,34)/t18-,19-,20+,21-,23+/m1/s1
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76n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12943
PNG
(4-sulfamoyl-N-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydr...)
Show SMILES CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H23N5O8S/c1-29-17-15(25)14(24)13(23)12(30-17)8-22-7-10(20-21-22)6-19-16(26)9-2-4-11(5-3-9)31(18,27)28/h2-5,7,12-15,17,23-25H,6,8H2,1H3,(H,19,26)(H2,18,27,28)/t12-,13-,14+,15-,17+/m1/s1
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78n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12930
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2-ac...)
Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H30N6O11S/c1-12(31)27-20-22(40-15(4)34)21(39-14(3)33)19(11-38-13(2)32)41-24(20)30-10-17(28-29-30)9-26-23(35)16-5-7-18(8-6-16)42(25,36)37/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,35)(H,27,31)(H2,25,36,37)/t19-,20-,21-,22-,24-/m1/s1
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78n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12917
PNG
(CHEMBL217569 | O-propynyl ester derivative 3 | Pro...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCC#C
Show InChI InChI=1S/C10H9NO4S/c1-2-7-15-10(12)8-3-5-9(6-4-8)16(11,13)14/h1,3-6H,7H2,(H2,11,13,14)
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83n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12922
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H29N5O12S/c1-12(30)37-11-19-20(38-13(2)31)21(39-14(3)32)22(40-15(4)33)24(41-19)29-10-17(27-28-29)9-26-23(34)16-5-7-18(8-6-16)42(25,35)36/h5-8,10,19-22,24H,9,11H2,1-4H3,(H,26,34)(H2,25,35,36)/t19-,20+,21+,22-,24-/m1/s1
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87n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12934
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2,3,...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H27N5O12S/c1-11(29)37-17-18(38-12(2)30)20(23(33)36-4)40-22(19(17)39-13(3)31)28-10-15(26-27-28)9-25-21(32)14-5-7-16(8-6-14)41(24,34)35/h5-8,10,17-20,22H,9H2,1-4H3,(H,25,32)(H2,24,34,35)/t17-,18-,19+,20-,22+/m0/s1
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94n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12925
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12+,13+,14-,15-/m1/s1
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95n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50200448
PNG
(4-sulfamoyl-N-[1-((2S,3S,4R,5R)-3,4,5-trihydroxy-t...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H19N5O7S/c16-28(25,26)10-3-1-8(2-4-10)14(24)17-5-9-6-20(19-18-9)15-13(23)12(22)11(21)7-27-15/h1-4,6,11-13,15,21-23H,5,7H2,(H,17,24)(H2,16,25,26)/t11-,12-,13+,15+/m1/s1
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101n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12931
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(2-ac...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C18H24N6O8S/c1-9(26)21-14-16(28)15(27)13(8-25)32-18(14)24-7-11(22-23-24)6-20-17(29)10-2-4-12(5-3-10)33(19,30)31/h2-5,7,13-16,18,25,27-28H,6,8H2,1H3,(H,20,29)(H,21,26)(H2,19,30,31)/t13-,14-,15-,16-,18-/m1/s1
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103n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12935
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/s1
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105n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12920
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20-,21+,22-,23-/m1/s1
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123n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12938
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(hept...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C36H45N5O20S/c1-16(42)52-14-26-29(61-36-33(58-22(7)48)31(56-20(5)46)28(54-18(3)44)27(60-36)15-53-17(2)43)30(55-19(4)45)32(57-21(6)47)35(59-26)41-13-24(39-40-41)12-38-34(49)23-8-10-25(11-9-23)62(37,50)51/h8-11,13,26-33,35-36H,12,14-15H2,1-7H3,(H,38,49)(H2,37,50,51)/t26-,27-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
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134n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM12936
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H26N4O13S/c1-11(28)37-17-18(38-12(2)29)20(23(32)35-4)40-21(19(17)39-13(3)30)27-9-15(25-26-27)10-36-22(31)14-5-7-16(8-6-14)41(24,33)34/h5-9,17-21H,10H2,1-4H3,(H2,24,33,34)/t17-,18-,19+,20-,21+/m0/s1
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155n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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Article
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345n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12935
PNG
(4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/s1
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Article
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388n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by CO2 hydration assay


Bioorg Med Chem Lett 17: 987-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.046
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%