Compile Data Set for Download or QSAR

PubMed code 32435377

Found 30 hits of Enzyme Inhibition Constant Data   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ 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:  2.5nMAssay Description:Inhibition of recombinant human carbonic anhydrase 7 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ 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 recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  7.40nMAssay Description:Inhibition of recombinant human carbonic anhydrase 7 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ 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:  11nMAssay Description:Inhibition of recombinant human carbonic anhydrase 6 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ 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 recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ 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:  17nMAssay Description:Inhibition of recombinant human carbonic anhydrase 13 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ 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:  26nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  31nMAssay Description:Inhibition of recombinant human carbonic anhydrase 7 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  34nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5A preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  36nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ 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:  54nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5B preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ 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:  63nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5A preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  65nMAssay Description:Inhibition of recombinant human carbonic anhydrase 13 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  69nMAssay Description:Inhibition of recombinant human carbonic anhydrase 6 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  70nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5A preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ 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:  74nMAssay Description:Inhibition of recombinant human carbonic anhydrase 4 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  80nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  81nMAssay Description:Inhibition of recombinant human carbonic anhydrase 4 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ 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 recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  429nMAssay Description:Inhibition of recombinant human carbonic anhydrase 13 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  541nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  543nMAssay Description:Inhibition of recombinant human carbonic anhydrase 6 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  659nMAssay Description:Inhibition of recombinant human carbonic anhydrase 4 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  770nMAssay Description:Inhibition of recombinant human carbonic anhydrase 12 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  801nMAssay Description:Inhibition of recombinant human carbonic anhydrase 2 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  813nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5B preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  956nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  2.88E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 1 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540616(CHEMBL4643051)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)C[C@@H](O)[C@@H]2O1
Show InChI InChI=1S/C23H36N6O5S/c1-23(2)33-21-16-28(15-20(30)22(21)34-23)11-5-3-4-6-12-29-14-18(26-27-29)13-25-17-7-9-19(10-8-17)35(24,31)32/h7-10,14,20-22,25,30H,3-6,11-13,15-16H2,1-2H3,(H2,24,31,32)/t20-,21-,22+/m1/s1
Affinity DataKi:  2.98E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 9 preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ di Firenze

Curated by ChEMBL
LigandPNGBDBM50540617(CHEMBL4649348)
Show SMILES CC1(C)O[C@@H]2CN(CCCCCCn3cc(CNc4ccc(cc4)S(N)(=O)=O)nn3)[C@H]([C@@H](O)[C@@H]2O1)[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@H]1O
Show InChI InChI=1S/C29H44N6O9S/c1-29(2)43-20-15-34(23(26(38)27(20)44-29)22-24(36)21-16-41-28(42-21)25(22)37)11-5-3-4-6-12-35-14-18(32-33-35)13-31-17-7-9-19(10-8-17)45(30,39)40/h7-10,14,20-28,31,36-38H,3-6,11-13,15-16H2,1-2H3,(H2,30,39,40)/t20-,21?,22-,23+,24-,25+,26-,27-,28?/m1/s1
Affinity DataKi:  4.35E+3nMAssay Description:Inhibition of recombinant human carbonic anhydrase 5B preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%