Compile Data Set for Download or QSAR
Found 60 Enz. Inhib. hit(s) with all data for entry = 50047936
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197809(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
Affinity DataKi:  0.830nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197818(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  1nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197816(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  1nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197810(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
Affinity DataKi:  1nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197809(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197821(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197816(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197815(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197815(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  1.20nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197813(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197811(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197819(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197821(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197816(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  2.10nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197809(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
Affinity DataKi:  2.20nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197819(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  2.30nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197811(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  2.40nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197815(CHEMBL3917661)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-14(7-9-15)22-11-12-10-19(18-17-12)13-4-2-1-3-5-13/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197814(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197814(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
Affinity DataKi:  3.20nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197818(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197812(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
Affinity DataKi:  4.30nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197811(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  4.90nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197819(CHEMBL3979541)
Show SMILES Cc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O3S/c1-12-3-2-4-15(9-12)23-11-13-10-20(19-18-13)14-5-7-16(8-6-14)24(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  5.40nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  5.70nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50262062(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
Affinity DataKi:  6nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197813(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
Affinity DataKi:  6nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197810(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
Affinity DataKi:  7.10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197809(CHEMBL3908714)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C15H15N5O2S/c16-23(21,22)15-8-6-14(7-9-15)20-11-13(18-19-20)10-17-12-4-2-1-3-5-12/h1-9,11,17H,10H2,(H2,16,21,22)
Affinity DataKi:  7.90nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197821(CHEMBL3909323)
Show SMILES COc1cccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-3-2-4-15(9-14)24-11-12-10-20(19-18-12)13-5-7-16(8-6-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  9.30nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197820(CHEMBL3933768)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CN(Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C24H23N9O4S2/c25-38(34,35)23-10-6-21(7-11-23)32-16-18(27-29-32)14-31(20-4-2-1-3-5-20)15-19-17-33(30-28-19)22-8-12-24(13-9-22)39(26,36)37/h1-13,16-17H,14-15H2,(H2,25,34,35)(H2,26,36,37)
Affinity DataKi:  10nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197817(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  12nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197820(CHEMBL3933768)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CN(Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c2ccccc2)nn1
Show InChI InChI=1S/C24H23N9O4S2/c25-38(34,35)23-10-6-21(7-11-23)32-16-18(27-29-32)14-31(20-4-2-1-3-5-20)15-19-17-33(30-28-19)22-8-12-24(13-9-22)39(26,36)37/h1-13,16-17H,14-15H2,(H2,25,34,35)(H2,26,36,37)
Affinity DataKi:  12nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  12nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197818(CHEMBL3944032)
Show SMILES COc1ccc(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H16N4O4S/c1-23-14-4-6-15(7-5-14)24-11-12-10-20(19-18-12)13-2-8-16(9-3-13)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  14nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197812(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
Affinity DataKi:  16nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197814(CHEMBL3890688)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-11-1-3-13(4-2-11)20-9-12(18-19-20)10-23-14-5-7-15(8-6-14)24(17,21)22/h1-9H,10H2,(H2,17,21,22)
Affinity DataKi:  16nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197813(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
Affinity DataKi:  17nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197810(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
Affinity DataKi:  19nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197817(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  21nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197812(CHEMBL3949320)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N4O3S/c17-16(18,19)11-1-3-13(4-2-11)23-9-12(21-22-23)10-26-14-5-7-15(8-6-14)27(20,24)25/h1-9H,10H2,(H2,20,24,25)
Affinity DataKi:  24nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  25nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50262062(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
Affinity DataKi:  26nMAssay Description:Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50262062(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
Affinity DataKi:  44nMAssay Description:Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197810(CHEMBL3899660)
Show SMILES NS(=O)(=O)c1ccc(OCc2cn(nn2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H14N4O4S/c16-24(21,22)15-7-5-14(6-8-15)23-10-11-9-19(18-17-11)12-1-3-13(20)4-2-12/h1-9,20H,10H2,(H2,16,21,22)
Affinity DataKi:  93nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197817(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  102nMAssay Description:Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197813(CHEMBL3973519)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2cccnc2)nn1
Show InChI InChI=1S/C14H13N5O3S/c15-23(20,21)14-5-3-12(4-6-14)19-9-11(17-18-19)10-22-13-2-1-7-16-8-13/h1-9H,10H2,(H2,15,20,21)
Affinity DataKi:  123nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197811(CHEMBL3936646)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O2S2/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
Affinity DataKi:  196nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM10880(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)
Affinity DataKi:  250nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50197817(CHEMBL3918758)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C16H16N4O4S/c1-23-15-4-2-3-13(9-15)20-10-12(18-19-20)11-24-14-5-7-16(8-6-14)25(17,21)22/h2-10H,11H2,1H3,(H2,17,21,22)
Affinity DataKi:  278nMAssay Description:Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assayMore data for this Ligand-Target Pair
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