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PubMed code 16039853

Compile data set for download or QSAR
Found 89 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))
BDBM50171020
PNG
(CHEMBL181082 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(CS)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N4O3S3/c13-10(7-20)11(17)16-12(21)15-6-5-8-1-3-9(4-2-8)22(14,18)19/h1-4,10,20H,5-7,13H2,(H2,14,18,19)(H2,15,16,17,21)
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1.5n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171013
PNG
(CHEMBL538564 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C15H25N5O3S2/c16-25(21,22)14-3-1-13(2-4-14)5-6-17-15(24)19-18-7-8-20-9-11-23-12-10-20/h1-4,18H,5-12H2,(H2,16,21,22)(H2,17,19,24)
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1.70n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171011
PNG
(CHEMBL180177 | Thioureido sulfonamide)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCNCC2)cc1
Show InChI InChI=1S/C15H26N6O2S2/c16-25(22,23)14-3-1-13(2-4-14)5-6-18-15(24)20-19-9-12-21-10-7-17-8-11-21/h1-4,17,19H,5-12H2,(H2,16,22,23)(H2,18,20,24)
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1.80n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171014
PNG
(CHEMBL179355 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C15H17FN4O2S2/c16-13-3-1-2-4-14(13)19-20-15(23)18-10-9-11-5-7-12(8-6-11)24(17,21)22/h1-8,19H,9-10H2,(H2,17,21,22)(H2,18,20,23)
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1.90n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171016
PNG
(4-{2-[3-(2-Amino-acetyl)-thioureido]-ethyl}-benzen...)
Show SMILES NCC(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N4O3S2/c12-7-10(16)15-11(19)14-6-5-8-1-3-9(4-2-8)20(13,17)18/h1-4H,5-7,12H2,(H2,13,17,18)(H2,14,15,16,19)
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2n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171023
PNG
(4-{2-[3-(2-Dimethylamino-ethyl)-thioureido]-ethyl}...)
Show SMILES CN(C)CCNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H22N4O2S2/c1-17(2)10-9-16-13(20)15-8-7-11-3-5-12(6-4-11)21(14,18)19/h3-6H,7-10H2,1-2H3,(H2,14,18,19)(H2,15,16,20)
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2.10n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
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2.30n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171012
PNG
(CHEMBL180506 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O3S2/c19-16(12-14-4-2-1-3-5-14)17(23)22-18(26)21-11-10-13-6-8-15(9-7-13)27(20,24)25/h1-9,16H,10-12,19H2,(H2,20,24,25)(H2,21,22,23,26)
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3n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
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3n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171009
PNG
((3R)-3-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amin...)
Show SMILES NC(CC(N)=O)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N5O4S2/c14-10(7-11(15)19)12(20)18-13(23)17-6-5-8-1-3-9(4-2-8)24(16,21)22/h1-4,10H,5-7,14H2,(H2,15,19)(H2,16,21,22)(H2,17,18,20,23)
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3.30n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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4.80n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171018
PNG
(4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...)
Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)
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4.90n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171014
PNG
(CHEMBL179355 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C15H17FN4O2S2/c16-13-3-1-2-4-14(13)19-20-15(23)18-10-9-11-5-7-12(8-6-11)24(17,21)22/h1-8,19H,9-10H2,(H2,17,21,22)(H2,18,20,23)
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6n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171020
PNG
(CHEMBL181082 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(CS)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N4O3S3/c13-10(7-20)11(17)16-12(21)15-6-5-8-1-3-9(4-2-8)22(14,18)19/h1-4,10,20H,5-7,13H2,(H2,14,18,19)(H2,15,16,17,21)
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6n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171017
PNG
(CHEMBL178403 | N-[4-(aminosulfonyl)phenyl]-2-(2-fl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C13H13FN4O2S2/c14-11-3-1-2-4-12(11)17-18-13(21)16-9-5-7-10(8-6-9)22(15,19)20/h1-8,17H,(H2,15,19,20)(H2,16,18,21)
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7n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171011
PNG
(CHEMBL180177 | Thioureido sulfonamide)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCNCC2)cc1
Show InChI InChI=1S/C15H26N6O2S2/c16-25(22,23)14-3-1-13(2-4-14)5-6-18-15(24)20-19-9-12-21-10-7-17-8-11-21/h1-4,17,19H,5-12H2,(H2,16,22,23)(H2,18,20,24)
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7n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171016
PNG
(4-{2-[3-(2-Amino-acetyl)-thioureido]-ethyl}-benzen...)
Show SMILES NCC(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N4O3S2/c12-7-10(16)15-11(19)14-6-5-8-1-3-9(4-2-8)20(13,17)18/h1-4H,5-7,12H2,(H2,13,17,18)(H2,14,15,16,19)
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8n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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8n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(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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9n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171013
PNG
(CHEMBL538564 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C15H25N5O3S2/c16-25(21,22)14-3-1-13(2-4-14)5-6-17-15(24)19-18-7-8-20-9-11-23-12-10-20/h1-4,18H,5-12H2,(H2,16,21,22)(H2,17,19,24)
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9n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171009
PNG
((3R)-3-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amin...)
Show SMILES NC(CC(N)=O)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N5O4S2/c14-10(7-11(15)19)12(20)18-13(23)17-6-5-8-1-3-9(4-2-8)24(16,21)22/h1-4,10H,5-7,14H2,(H2,15,19)(H2,16,21,22)(H2,17,18,20,23)
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11n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171021
PNG
(4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
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12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
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12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171012
PNG
(CHEMBL180506 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O3S2/c19-16(12-14-4-2-1-3-5-14)17(23)22-18(26)21-11-10-13-6-8-15(9-7-13)27(20,24)25/h1-9,16H,10-12,19H2,(H2,20,24,25)(H2,21,22,23,26)
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12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
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12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171017
PNG
(CHEMBL178403 | N-[4-(aminosulfonyl)phenyl]-2-(2-fl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C13H13FN4O2S2/c14-11-3-1-2-4-12(11)17-18-13(21)16-9-5-7-10(8-6-9)22(15,19)20/h1-8,17H,(H2,15,19,20)(H2,16,18,21)
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13n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171023
PNG
(4-{2-[3-(2-Dimethylamino-ethyl)-thioureido]-ethyl}...)
Show SMILES CN(C)CCNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H22N4O2S2/c1-17(2)10-9-16-13(20)15-8-7-11-3-5-12(6-4-11)21(14,18)19/h3-6H,7-10H2,1-2H3,(H2,14,18,19)(H2,15,16,20)
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13n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
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13n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171018
PNG
(4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...)
Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)
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14n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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14n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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16n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
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18n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
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18n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
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19n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171020
PNG
(CHEMBL181082 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(CS)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H18N4O3S3/c13-10(7-20)11(17)16-12(21)15-6-5-8-1-3-9(4-2-8)22(14,18)19/h1-4,10,20H,5-7,13H2,(H2,14,18,19)(H2,15,16,17,21)
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24n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171030
PNG
(4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...)
Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)
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24n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171017
PNG
(CHEMBL178403 | N-[4-(aminosulfonyl)phenyl]-2-(2-fl...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C13H13FN4O2S2/c14-11-3-1-2-4-12(11)17-18-13(21)16-9-5-7-10(8-6-9)22(15,19)20/h1-8,17H,(H2,15,19,20)(H2,16,18,21)
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24n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
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25n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171030
PNG
(4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...)
Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)
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27n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171022
PNG
(CHEMBL181716 | N-[4-(aminosulfonyl)phenyl]-2-(4-me...)
Show SMILES CN1CCN(CC1)NNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N6O2S2/c1-17-6-8-18(9-7-17)16-15-12(21)14-10-2-4-11(5-3-10)22(13,19)20/h2-5,16H,6-9H2,1H3,(H2,13,19,20)(H2,14,15,21)
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33n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171009
PNG
((3R)-3-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amin...)
Show SMILES NC(CC(N)=O)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N5O4S2/c14-10(7-11(15)19)12(20)18-13(23)17-6-5-8-1-3-9(4-2-8)24(16,21)22/h1-4,10H,5-7,14H2,(H2,15,19)(H2,16,21,22)(H2,17,18,20,23)
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33n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171021
PNG
(4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
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33n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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37n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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38n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171016
PNG
(4-{2-[3-(2-Amino-acetyl)-thioureido]-ethyl}-benzen...)
Show SMILES NCC(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H16N4O3S2/c12-7-10(16)15-11(19)14-6-5-8-1-3-9(4-2-8)20(13,17)18/h1-4H,5-7,12H2,(H2,13,17,18)(H2,14,15,16,19)
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40n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
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48n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
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



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171027
PNG
(CHEMBL178664 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C17H31N7O2S2/c18-7-1-9-23-11-13-24(14-12-23)10-2-8-20-22-17(27)21-15-3-5-16(6-4-15)28(19,25)26/h3-6,20H,1-2,7-14,18H2,(H2,19,25,26)(H2,21,22,27)
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50n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171011
PNG
(CHEMBL180177 | Thioureido sulfonamide)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCNCC2)cc1
Show InChI InChI=1S/C15H26N6O2S2/c16-25(22,23)14-3-1-13(2-4-14)5-6-18-15(24)20-19-9-12-21-10-7-17-8-11-21/h1-4,17,19H,5-12H2,(H2,16,22,23)(H2,18,20,24)
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50n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171013
PNG
(CHEMBL538564 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C15H25N5O3S2/c16-25(21,22)14-3-1-13(2-4-14)5-6-17-15(24)19-18-7-8-20-9-11-23-12-10-20/h1-4,18H,5-12H2,(H2,16,21,22)(H2,17,19,24)
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54n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171012
PNG
(CHEMBL180506 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NC(Cc1ccccc1)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N4O3S2/c19-16(12-14-4-2-1-3-5-14)17(23)22-18(26)21-11-10-13-6-8-15(9-7-13)27(20,24)25/h1-9,16H,10-12,19H2,(H2,20,24,25)(H2,21,22,23,26)
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54n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171025
PNG
(CHEMBL182197 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NN(NC(=S)NCCc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H14F5N5O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)25(21)24-15(28)23-6-5-7-1-3-8(4-2-7)29(22,26)27/h1-4H,5-6,21H2,(H2,22,26,27)(H2,23,24,28)
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61n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171023
PNG
(4-{2-[3-(2-Dimethylamino-ethyl)-thioureido]-ethyl}...)
Show SMILES CN(C)CCNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H22N4O2S2/c1-17(2)10-9-16-13(20)15-8-7-11-3-5-12(6-4-11)21(14,18)19/h3-6H,7-10H2,1-2H3,(H2,14,18,19)(H2,15,16,20)
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63n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171029
PNG
(CHEMBL180675 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)NCCc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C19H35N7O2S2/c20-8-1-11-25-13-15-26(16-14-25)12-2-9-23-24-19(29)22-10-7-17-3-5-18(6-4-17)30(21,27)28/h3-6,23H,1-2,7-16,20H2,(H2,21,27,28)(H2,22,24,29)
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64n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171028
PNG
(CHEMBL360254 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES CN1CCN(CC1)NNC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H24N6O2S2/c1-19-8-10-20(11-9-19)18-17-14(23)16-7-6-12-2-4-13(5-3-12)24(15,21)22/h2-5,18H,6-11H2,1H3,(H2,15,21,22)(H2,16,17,23)
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72n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171015
PNG
(CHEMBL182135 | N-[4-(aminosulfonyl)phenyl]-2-(2-mo...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNCCN2CCOCC2)cc1
Show InChI InChI=1S/C13H21N5O3S2/c14-23(19,20)12-3-1-11(2-4-12)16-13(22)17-15-5-6-18-7-9-21-10-8-18/h1-4,15H,5-10H2,(H2,14,19,20)(H2,16,17,22)
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73n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171026
PNG
(4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...)
Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)
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74n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171022
PNG
(CHEMBL181716 | N-[4-(aminosulfonyl)phenyl]-2-(4-me...)
Show SMILES CN1CCN(CC1)NNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N6O2S2/c1-17-6-8-18(9-7-17)16-15-12(21)14-10-2-4-11(5-3-10)22(13,19)20/h2-5,16H,6-9H2,1H3,(H2,13,19,20)(H2,14,15,21)
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75n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171014
PNG
(CHEMBL179355 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccccc2F)cc1
Show InChI InChI=1S/C15H17FN4O2S2/c16-13-3-1-2-4-14(13)19-20-15(23)18-10-9-11-5-7-12(8-6-11)24(17,21)22/h1-8,19H,9-10H2,(H2,17,21,22)(H2,18,20,23)
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77n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171010
PNG
(CHEMBL362636 | N-[4-(aminosulfonyl)phenyl]-2-(pent...)
Show SMILES NN(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C13H10F5N5O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)23(19)22-13(26)21-5-1-3-6(4-2-5)27(20,24)25/h1-4H,19H2,(H2,20,24,25)(H2,21,22,26)
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79n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171022
PNG
(CHEMBL181716 | N-[4-(aminosulfonyl)phenyl]-2-(4-me...)
Show SMILES CN1CCN(CC1)NNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N6O2S2/c1-17-6-8-18(9-7-17)16-15-12(21)14-10-2-4-11(5-3-10)22(13,19)20/h2-5,16H,6-9H2,1H3,(H2,13,19,20)(H2,14,15,21)
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80n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11640
PNG
(3-[(2,3,4,5,6-pentafluorophenyl)amino]-1-(4-sulfam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H9F5N4O2S2/c14-7-8(15)10(17)12(11(18)9(7)16)21-22-13(25)20-5-1-3-6(4-2-5)26(19,23)24/h1-4,21H,(H2,19,23,24)(H2,20,22,25)
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84n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171024
PNG
(CHEMBL361955 | N-{2-[4-(aminosulfonyl)phenyl]ethyl...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H13F5N4O2S2/c16-9-10(17)12(19)14(13(20)11(9)18)23-24-15(27)22-6-5-7-1-3-8(4-2-7)28(21,25)26/h1-4,23H,5-6H2,(H2,21,25,26)(H2,22,24,27)
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95n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171021
PNG
(4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzenesu...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O2S2/c1-15(2)8-7-13-11(18)14-9-3-5-10(6-4-9)19(12,16)17/h3-6H,7-8H2,1-2H3,(H2,12,16,17)(H2,13,14,18)
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100n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171018
PNG
(4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...)
Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)
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113n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171030
PNG
(4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...)
Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)
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135n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50171019
PNG
(4-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)car...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N4O4S2/c17-26(23,24)14-7-1-11(2-8-14)9-10-18-16(25)20-19-13-5-3-12(4-6-13)15(21)22/h1-8,19H,9-10H2,(H,21,22)(H2,17,23,24)(H2,18,20,25)
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144n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171027
PNG
(CHEMBL178664 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C17H31N7O2S2/c18-7-1-9-23-11-13-24(14-12-23)10-2-8-20-22-17(27)21-15-3-5-16(6-4-15)28(19,25)26/h3-6,20H,1-2,7-14,18H2,(H2,19,25,26)(H2,21,22,27)
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150n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171019
PNG
(4-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)car...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N4O4S2/c17-26(23,24)14-7-1-11(2-8-14)9-10-18-16(25)20-19-13-5-3-12(4-6-13)15(21)22/h1-8,19H,9-10H2,(H,21,22)(H2,17,23,24)(H2,18,20,25)
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159n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50171029
PNG
(CHEMBL180675 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)NCCc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C19H35N7O2S2/c20-8-1-11-25-13-15-26(16-14-25)12-2-9-23-24-19(29)22-10-7-17-3-5-18(6-4-17)30(21,27)28/h3-6,23H,1-2,7-16,20H2,(H2,21,27,28)(H2,22,24,29)
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185n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171027
PNG
(CHEMBL178664 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)Nc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C17H31N7O2S2/c18-7-1-9-23-11-13-24(14-12-23)10-2-8-20-22-17(27)21-15-3-5-16(6-4-15)28(19,25)26/h3-6,20H,1-2,7-14,18H2,(H2,19,25,26)(H2,21,22,27)
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250n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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300n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171029
PNG
(CHEMBL180675 | Thioureido sulfonamide)
Show SMILES NCCCN1CCN(CCCNNC(=S)NCCc2ccc(cc2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C19H35N7O2S2/c20-8-1-11-25-13-15-26(16-14-25)12-2-9-23-24-19(29)22-10-7-17-3-5-18(6-4-17)30(21,27)28/h3-6,23H,1-2,7-16,20H2,(H2,21,27,28)(H2,22,24,29)
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313n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50171019
PNG
(4-{2-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)car...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=S)NNc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H18N4O4S2/c17-26(23,24)14-7-1-11(2-8-14)9-10-18-16(25)20-19-13-5-3-12(4-6-13)15(21)22/h1-8,19H,9-10H2,(H,21,22)(H2,17,23,24)(H2,18,20,25)
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324n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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780n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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1.20E+3n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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2.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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5.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 15: 3821-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.054
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%