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Compile Data Set for Download or QSAR

Found 367 hits for UniProtKB: Q9Y2D0   
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))
BDBM50025094
PNG
(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)
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0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1488-94 (1986)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50025093
PNG
(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)
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1488-94 (1986)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 29: 1488-94 (1986)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM35738
PNG
(sulfonamide deriv., 7f)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1
Show InChI InChI=1S/C14H13BrN2O3S/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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5.90 -47.0n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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6.10 -46.9n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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6.80 -46.6n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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7 -46.5n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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7.20 -46.5n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50337755
PNG
(5-(((1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-...)
Show SMILES Cn1nc(sc1=NS(=O)(=O)C[C@]12CCC(CC1=O)C2(C)C)S(N)(=O)=O |r,w:6.7|
Show InChI InChI=1S/C13H20N4O5S3/c1-12(2)8-4-5-13(12,9(18)6-8)7-24(19,20)16-10-17(3)15-11(23-10)25(14,21)22/h8H,4-7H2,1-3H3,(H2,14,21,22)/t8?,13-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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7.40 -46.4n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50337754
PNG
((Z)-5-(((1R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]hepta...)
Show SMILES Cn1nc(sc1=NS(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C)S(N)(=O)=O |r,w:6.7|
Show InChI InChI=1S/C13H20N4O5S3/c1-12(2)8-4-5-13(12,9(18)6-8)7-24(19,20)16-10-17(3)15-11(23-10)25(14,21)22/h8H,4-7H2,1-3H3,(H2,14,21,22)/t8?,13-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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7.90 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM35727
PNG
(sulfonamide deriv., 5b)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1
Show InChI InChI=1S/C12H11FN2O3S2/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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7.90 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.10 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.10 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.20 -46.2n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.30 -46.1n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.60 -46.0n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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8.70 -46.0n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM25900
PNG
(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12
Show InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
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9n/an/an/an/an/an/an/an/a



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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9 -45.9n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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9.30 -45.8n/an/an/an/an/an/a25



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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50261759
PNG
(4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
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10.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262062
PNG
(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)
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10.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262063
PNG
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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10.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262067
PNG
(4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H11FN4O2S/c15-11-3-1-10(2-4-11)14-9-19(18-17-14)12-5-7-13(8-6-12)22(16,20)21/h1-9H,(H2,16,20,21)
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11.2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262015
PNG
(4-(4-o-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccccc1-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-4-2-3-5-14(11)15-10-19(18-17-15)12-6-8-13(9-7-12)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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11.4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262066
PNG
(4-{1-[4-(aminosulfonyl)phenyl]-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H13N5O4S2/c15-24(20,21)12-5-1-10(2-6-12)14-9-19(18-17-14)11-3-7-13(8-4-11)25(16,22)23/h1-9H,(H2,15,20,21)(H2,16,22,23)
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11.9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50261760
PNG
(4-(4-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)13-4-2-1-3-12(13)14-9-22(21-20-14)10-5-7-11(8-6-10)25(19,23)24/h1-9H,(H2,19,23,24)
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12.9n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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18n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM25896
PNG
(EMD 486019 | [2-(cycloheptylmethyl)-1,1-dioxo--ben...)
Show SMILES NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9|
Show InChI InChI=1S/C16H21NO5S2/c17-24(20,21)22-14-8-7-13-10-15(23(18,19)16(13)11-14)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2,(H2,17,20,21)
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18 -44.2n/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: 4282-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.105
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10889
PNG
(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)
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18n/an/an/an/an/an/an/an/a



Kochi Medical School



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...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5B by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.038
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Universite Montpellier II



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...


J Med Chem 49: 7024-31 (2006)


Article DOI: 10.1021/jm060807n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.114
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Kochi Medical School



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...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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19n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human full length carbonic anhydrase 5B by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 2669-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.023
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B mitochondrial isoform by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 21: 1334-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.050
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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21n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.114
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)


Article DOI: 10.1021/jm1003667
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



Universite Montpellier II



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...


J Med Chem 49: 7024-31 (2006)


Article DOI: 10.1021/jm060807n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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21n/an/an/an/an/an/an/an/a



Universite Montpellier II



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...


J Med Chem 49: 7024-31 (2006)


Article DOI: 10.1021/jm060807n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21 -43.8n/an/an/an/an/a7.525



University of Calgary



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 469-75 (2014)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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21n/an/an/an/an/an/an/an/a



Kochi Medical School



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...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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23n/an/an/an/an/an/an/an/a



Kochi Medical School



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...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
More data for this
Ligand-Target Pair
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