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Compile Data Set for Download or QSAR

Found 418 hits of ph data with Target = 'Carbonic anhydrase'   
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


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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Article
PubMed
n/an/an/a 4.03E+3n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12415
PNG
(BR15 | copper(2+) ion 2-[(carboxylatomethyl)[(4-{[...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H23N3O7S/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30)/p-2
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n/an/an/a 200n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12418
PNG
(BR30 | copper(2+) ion 2-[(carboxylatomethyl)({2-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C13H17N3O7S/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23)/p-2
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n/an/an/a 120n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
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n/an/an/a 230n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12416
PNG
(BR22 | copper(2+) ion 2-[(carboxylatomethyl)({[(3-...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
Show InChI InChI=1S/C21H24N4O8S/c22-34(32,33)17-6-4-14(5-7-17)8-9-23-21(31)15-2-1-3-16(10-15)24-18(26)11-25(12-19(27)28)13-20(29)30/h1-7,10H,8-9,11-13H2,(H,23,31)(H,24,26)(H,27,28)(H,29,30)(H2,22,32,33)/p-2
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n/an/an/a 76n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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PubMed
3 -47.8n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11327
PNG
(Hydroxamate 8 | N-Pentafluorophenylsulfonyl-glycin...)
Show SMILES ONC(=O)CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C8H5F5N2O4S/c9-3-4(10)6(12)8(7(13)5(3)11)20(18,19)14-1-2(16)15-17/h14,17H,1H2,(H,15,16)
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7 -46.5n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11333
PNG
(Hydroxamate 14 | N-hydroxy-2-[(2,3,4,5,6-pentafluo...)
Show SMILES CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C9H7F5N2O4S/c1-2(9(17)15-18)16-21(19,20)8-6(13)4(11)3(10)5(12)7(8)14/h2,16,18H,1H3,(H,15,17)
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7 -46.5n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25904
PNG
(2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
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PubMed
7.5 -46.4n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11339
PNG
(Hydroxamate 20 | N-hydroxy-3-methyl-2-[(2,3,4,5,6-...)
Show SMILES CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C11H11F5N2O4S/c1-3(2)9(11(19)17-20)18-23(21,22)10-7(15)5(13)4(12)6(14)8(10)16/h3,9,18,20H,1-2H3,(H,17,19)
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8 -46.2n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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15 -43.9n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11325
PNG
(Hydroxamate 7 | N-hydroxy-2-[(1,1,2,2,3,3,4,4,4-no...)
Show SMILES ONC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C6H5F9N2O4S/c7-3(8,5(11,12)13)4(9,10)6(14,15)22(20,21)16-1-2(18)17-19/h16,19H,1H2,(H,17,18)
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18 -44.2n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11332
PNG
(Hydroxamate 13 | N-hydroxy-2-[(1,1,2,2,3,3,4,4,4-n...)
Show SMILES CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C7H7F9N2O4S/c1-2(3(19)17-20)18-23(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14/h2,18,20H,1H3,(H,17,19)
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21 -43.8n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM85658
PNG
(EZA4)
Show SMILES CCOc1ccc2nc(sc2c1)C(=O)ON
Show InChI InChI=1S/C10H10N2O3S/c1-2-14-6-3-4-7-8(5-6)16-9(12-7)10(13)15-11/h3-5H,2,11H2,1H3
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25 -42.7n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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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25 -43.4n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11338
PNG
(Hydroxamate 19 | N-hydroxy-3-methyl-2-[(1,1,2,2,3,...)
Show SMILES CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C9H11F9N2O4S/c1-3(2)4(5(21)19-22)20-25(23,24)9(17,18)7(12,13)6(10,11)8(14,15)16/h3-4,20,22H,1-2H3,(H,19,21)
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29 -43.0n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11328
PNG
(CHEMBL83508 | Hydroxamate 9 | N-hydroxy-2-[(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
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30 -42.9n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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32 -42.8n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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33 -42.7n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35735
PNG
(sulfonamide deriv., 7c)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O3S/c17-22(20,21)15-8-6-13(7-9-15)10-11-18-16(19)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)(H2,17,20,21)
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60 -41.2n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35730
PNG
(cid_694792 | sulfonamide deriv., 5e)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C13H14N2O3S2/c14-20(17,18)12-5-3-10(4-6-12)9-15-13(16)8-11-2-1-7-19-11/h1-7H,8-9H2,(H,15,16)(H2,14,17,18)
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UniChem
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60 -41.2n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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61 -41.2n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35737
PNG
(sulfonamide deriv., 7e)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H13ClN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
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61 -41.2n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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62 -41.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
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63 -41.1n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35736
PNG
(sulfonamide deriv., 7d)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1
Show InChI InChI=1S/C14H13FN2O3S/c15-12-9-11(21(16,19)20)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H2,16,19,20)
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67 -40.9n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35731
PNG
(sulfonamide deriv., 5f)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C14H16N2O3S2/c15-21(18,19)13-5-3-11(4-6-13)7-8-16-14(17)10-12-2-1-9-20-12/h1-6,9H,7-8,10H2,(H,16,17)(H2,15,18,19)
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68 -40.9n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35740
PNG
(sulfonamide deriv., 7h)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)16-13(17)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
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71 -40.8n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35732
PNG
(sulfonamide deriv., 6)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1
Show InChI InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
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72 -40.8n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35741
PNG
(sulfonamide deriv., 7i)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1
Show InChI InChI=1S/C15H17N3O3S/c16-22(20,21)14-3-1-12(2-4-14)7-10-18-15(19)11-13-5-8-17-9-6-13/h1-6,8-9H,7,10-11H2,(H,18,19)(H2,16,20,21)
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73 -40.7n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35739
PNG
(sulfonamide deriv., 7g)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)16-13(17)9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19)
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75 -40.7n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35734
PNG
(sulfonamide deriv., 7b)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
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75 -40.7n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35728
PNG
(sulfonamide deriv., 5c)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1
Show InChI InChI=1S/C12H11ClN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
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77 -40.6n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11336
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H13F5N2O4S/c1-8(16(24)22-25)23(7-9-5-3-2-4-6-9)28(26,27)15-13(20)11(18)10(17)12(19)14(15)21/h2-6,8,25H,7H2,1H3,(H,22,24)
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84 -40.4n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35729
PNG
(sulfonamide deriv., 5d)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1
Show InChI InChI=1S/C12H11BrN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
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84 -40.4n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11341
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C18H17F5N2O4S/c1-9(2)16(18(26)24-27)25(8-10-6-4-3-5-7-10)30(28,29)17-14(22)12(20)11(19)13(21)15(17)23/h3-7,9,16,27H,8H2,1-2H3,(H,24,26)
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88 -40.3n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11330
PNG
(2-[benzyl(2,3,4,5,6-pentafluorobenzene)sulfonamido...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H11F5N2O4S/c16-10-11(17)13(19)15(14(20)12(10)18)27(25,26)22(7-9(23)21-24)6-8-4-2-1-3-5-8/h1-5,24H,6-7H2,(H,21,23)
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90 -40.2n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33272
PNG
(azo-sulfonamide, 2a)
Show SMILES NS(=O)(=O)c1cccc(c1)N=Nc1ccc(O)cc1
Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-3-1-2-10(8-12)15-14-9-4-6-11(16)7-5-9/h1-8,16H,(H2,13,17,18)
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95 -40.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem 17: 7093-9 (2009)


Article DOI: 10.1016/j.bmc.2009.09.003
BindingDB Entry DOI: 10.7270/Q2M32T4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33267
PNG
(azo-sulfonamide, 1b)
Show SMILES Nc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+
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95 -40.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem 17: 7093-9 (2009)


Article DOI: 10.1016/j.bmc.2009.09.003
BindingDB Entry DOI: 10.7270/Q2M32T4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33273
PNG
(azo-sulfonamide, 2b)
Show SMILES Nc1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H12N4O2S/c13-9-4-6-10(7-5-9)15-16-11-2-1-3-12(8-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+
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96 -40.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem 17: 7093-9 (2009)


Article DOI: 10.1016/j.bmc.2009.09.003
BindingDB Entry DOI: 10.7270/Q2M32T4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33271
PNG
(azo-sulfonamide, 1f)
Show SMILES CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-18(10-24(19,20)21)13-6-2-11(3-7-13)16-17-12-4-8-14(9-5-12)25(15,22)23/h2-9H,10H2,1H3,(H2,15,22,23)(H,19,20,21)/p-1/b17-16+
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96 -40.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem 17: 7093-9 (2009)


Article DOI: 10.1016/j.bmc.2009.09.003
BindingDB Entry DOI: 10.7270/Q2M32T4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25907
PNG
(2-(hydrazinecarbonyl)-3-(4-methylphenyl)-1H-indole...)
Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Show InChI InChI=1S/C16H16N4O3S/c1-9-2-4-10(5-3-9)14-12-8-11(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
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104 -39.9n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11329
PNG
(2-[benzyl(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfo...)
Show SMILES ONC(=O)CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H11F9N2O4S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(27,28)24(7-9(25)23-26)6-8-4-2-1-3-5-8/h1-5,26H,6-7H2,(H,23,25)
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105 -39.8n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33270
PNG
(azo-sulfonamide, 1e)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1
Show InChI InChI=1S/C13H14N4O5S2/c14-24(21,22)13-7-5-12(6-8-13)17-16-11-3-1-10(2-4-11)15-9-23(18,19)20/h1-8,15H,9H2,(H2,14,21,22)(H,18,19,20)/p-1/b17-16+
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106 -39.8n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay 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...


Bioorg Med Chem 17: 7093-9 (2009)


Article DOI: 10.1016/j.bmc.2009.09.003
BindingDB Entry DOI: 10.7270/Q2M32T4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25905
PNG
(2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole...)
Show SMILES Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
Show InChI InChI=1S/C16H16N4O3S/c1-9-4-2-3-5-11(9)14-12-8-10(24(18,22)23)6-7-13(12)19-15(14)16(21)20-17/h2-8,19H,17H2,1H3,(H,20,21)(H2,18,22,23)
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107 -39.8n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM238298
PNG
(1-(3-aminophenyl)-4-benzoyl-5-phenyl-N-(4-sulfamoy...)
Show SMILES Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C29H23N5O4S/c30-21-12-7-13-23(18-21)34-27(19-8-3-1-4-9-19)25(28(35)20-10-5-2-6-11-20)26(33-34)29(36)32-22-14-16-24(17-15-22)39(31,37)38/h1-18H,30H2,(H,32,36)(H2,31,37,38)
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108 -39.8n/an/an/an/an/a7.425



Dumlupinar University



Assay Description
CA activity was assayed in inhibition studies by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion o...


J Enzyme Inhib Med Chem 28: 328-36 (2013)


Article DOI: 10.3109/14756366.2011.651465
BindingDB Entry DOI: 10.7270/Q2V986ZJ
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35733
PNG
(sulfonamide deriv., 7a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)16-14(17)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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108 -39.8n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
BindingDB Entry DOI: 10.7270/Q2RJ4GT1
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25910
PNG
(3-(4-fluorophenyl)-2-(hydrazinecarbonyl)-1H-indole...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13FN4O3S/c16-9-3-1-8(2-4-9)13-11-7-10(24(18,22)23)5-6-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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108 -39.8n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25918
PNG
(2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophen...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)
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110 -39.7n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25914
PNG
(3-(2-bromophenyl)-2-(hydrazinecarbonyl)-1H-indole-...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O
Show InChI InChI=1S/C15H13BrN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
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110 -39.7n/an/an/an/an/a7.425



Istanbul University



Assay 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...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
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