Compile Data Set for Download or QSAR
Found 538 of ki for UniProtKB: P23280
LigandPNGBDBM50025094(4-Nitro-benzenesulfonamide | 4-nitrobenzenesulfona...)
Show SMILES NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
Affinity DataKi:  0.200nMAssay Description:Compound was evaluated for the inhibition of Carbonic anhydraseMore data for this Ligand-Target Pair
LigandPNGBDBM50025093(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Affinity DataKi:  0.300nMAssay Description:Compound was evaluated for the inhibition of Carbonic anhydraseMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137675(4-(3,4,5-Trihydroxy-tetrahydro-pyran-2-ylamino)-be...)
Show SMILES NS(=O)(=O)c1ccc(NC2OCC(O)C(O)C2O)cc1
Show InChI InChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)
Affinity DataKi:  0.560nM ΔG°:  -12.4kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137677(4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyr...)
Show SMILES NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1
Show InChI InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)
Affinity DataKi:  0.640nM ΔG°:  -12.3kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10889(2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-su...)
Show SMILES COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)
Affinity DataKi:  0.800nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
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:  0.800nMAssay Description:Compound was evaluated for the inhibition of Carbonic anhydrase (Non competitive)More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi:  0.800nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM11638(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Affinity DataKi:  0.800nM ΔG°:  -12.2kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:Inhibition of human carbonic anhydrase 6More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:Inhibition of human carbonic anhydrase6 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10885((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
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
Affinity DataKi:  0.900nMAssay Description:Inhibition of human full length carbonic anhydrase 6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM82123(Brinzolamide, BRZ)
Show SMILES CCN[C@@H]1CN(CCC(C)=O)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H19N3O5S3/c1-3-14-10-7-15(5-4-8(2)16)23(19,20)12-9(10)6-11(21-12)22(13,17)18/h6,10,14H,3-5,7H2,1-2H3,(H2,13,17,18)/t10-/m1/s1
Affinity DataKi:  0.900nM ΔG°:  -12.1kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137676(4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-yl...)
Show SMILES CC1OC(Nc2ccc(cc2)S(N)(=O)=O)C(O)C(O)C1O
Show InChI InChI=1S/C12H18N2O6S/c1-6-9(15)10(16)11(17)12(20-6)14-7-2-4-8(5-3-7)21(13,18)19/h2-6,9-12,14-17H,1H3,(H2,13,18,19)
Affinity DataKi:  3.40nM ΔG°:  -11.4kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137675(4-(3,4,5-Trihydroxy-tetrahydro-pyran-2-ylamino)-be...)
Show SMILES NS(=O)(=O)c1ccc(NC2OCC(O)C(O)C2O)cc1
Show InChI InChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)
Affinity DataKi:  3.5nM ΔG°:  -11.3kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137675(4-(3,4,5-Trihydroxy-tetrahydro-pyran-2-ylamino)-be...)
Show SMILES NS(=O)(=O)c1ccc(NC2OCC(O)C(O)C2O)cc1
Show InChI InChI=1S/C11H16N2O6S/c12-20(17,18)7-3-1-6(2-4-7)13-11-10(16)9(15)8(14)5-19-11/h1-4,8-11,13-16H,5H2,(H2,12,17,18)
Affinity DataKi:  5.10nM ΔG°:  -11.1kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50366036(CHEMBL1956578)
Show SMILES Cc1cc(C)o\c(c1)=N\O
Show InChI InChI=1S/C7H9NO2/c1-5-3-6(2)10-7(4-5)8-9/h3-4,9H,1-2H3/b8-7+
Affinity DataKi:  8nMAssay Description:Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 6 hrs by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:Inhibition of human carbonic anhydrase 6More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant full length CA6 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:Inhibition of human full length carbonic anhydrase 6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:Inhibition of human carbonic anhydrase 6More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM13054((2R,4R)-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
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-/m1/s1
Affinity DataKi:  10nM ΔG°:  -10.7kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:Inhibition of human full length carbonic anhydrase 6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10881(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
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)
Affinity DataKi:  10nMAssay Description:Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assayChecked by AuthorMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM10884((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
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
Affinity DataKi:  10nMAssay Description:Inhibition of human carbonic anhydrase6 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50137677(4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyr...)
Show SMILES NS(=O)(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1
Show InChI InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)
Affinity DataKi:  10.1nM ΔG°:  -10.7kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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:  11nM ΔG°:  -10.7kcal/molepH: 7.5 T: 2°CAssay Description:Inhibition assay using carbonic anhydrases with an SX.18MV-R, a stopped-flow instrument from Applied Photophysics was used for assaying the CA cataly...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

LigandPNGBDBM50562972(CHEMBL4799997)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(C1=O)c1ccc(F)cc1F
Show InChI InChI=1S/C15H13F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)
Affinity DataKi:  11nMAssay Description:Inhibition of human CAH6 expressed in Escherichia coli BL21 (DE3) by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human carbonic anhydrase 6 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human carbonic anhydrase6 preincubated for 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human CA6 preincubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 CA6 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydrat...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human CA6 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human recombinant carbonic anhydrase 6 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human full length carbonic anhydrase 6 by stopped flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Institut des Biomolécules Max Mousseron (IBMM)

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 human CA6 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
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