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Compile Data Set for Download or QSAR

Found 23 hits of kd for UniProtKB: P00921   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Bos taurus)
BDBM35997
PNG
(1,4-dioxo-1,2,3,4-tetrahydro-1,2,3-benzothiadiazin...)
Show SMILES O=C1NNS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C7H6N2O3S/c10-7-5-3-1-2-4-6(5)13(11,12)9-8-7/h1-4,9H,(H,8,10)
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n/an/an/a 3.89E+4n/a 4.99E+4 1.947.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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n/an/an/a 5.88E+3n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase-2 assessed as dissociation constant by SPR method


J Med Chem 59: 4245-56 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM35999
PNG
(2-methylbenzene-1-sulfonamide | SPR_3)
Show SMILES Cc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/an/a 2.18E+3n/a 1.10E+5 0.2407.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36000
PNG
(3,5-dichlorobenzene-1-sulfonamide | SPR_4)
Show SMILES NS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
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n/an/an/a 287n/a 9.02E+5 0.2597.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36001
PNG
(6-aminopyridine-3-sulfonamide | SPR_5)
Show SMILES Nc1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10)
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n/an/an/a 1.08E+4n/a 1.88E+4 0.2037.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36002
PNG
(2,3-dihydro-1,4-benzodioxine-6-sulfonamide | SPR_6)
Show SMILES NS(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11)
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n/an/an/a 817n/a 1.34E+5 0.1097.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36003
PNG
(1-methyl-1H-imidazole-4-sulfonamide | SPR_7)
Show SMILES Cn1cnc(c1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
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n/an/an/a 3.53E+4n/a 4.65E+3 0.1647.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36004
PNG
(2,4-difluorobenzene-1-sulfonamide | SPR_8)
Show SMILES NS(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
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n/an/an/a 394n/a 2.72E+5 0.1077.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36005
PNG
(2,3-dihydro-1H-indole-5-sulfonamide | SPR_9)
Show SMILES NS(=O)(=O)c1ccc2NCCc2c1
Show InChI InChI=1S/C8H10N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H2,9,11,12)
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n/an/an/a 3.11E+3n/a 1.88E+4 0.05857.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36006
PNG
(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-s...)
Show SMILES CCCn1c2ccc(cc2[nH]c1=O)S(N)(=O)=O
Show InChI InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16)
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n/an/an/a 197n/a 4.75E+5 0.09357.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36007
PNG
(3-chloro-5-fluoro-2-methylbenzene-1-sulfonamide | ...)
Show SMILES Cc1c(Cl)cc(F)cc1S(N)(=O)=O
Show InChI InChI=1S/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
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n/an/an/a 96.8n/a 7.88E+5 0.07637.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM36008
PNG
(2-amino-1,3-benzothiazole-6-sulfonamide | SPR_12)
Show SMILES Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
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n/an/an/a 383n/a 5.10E+4 0.01967.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210909
PNG
(3-chlorobenzimidazo[1,2-c][1,2,3]thiadiazole-7-sul...)
Show SMILES NS(=O)(=O)c1ccc2nc3C(Cl)=S=Nn3c2c1
Show InChI InChI=1S/C8H5ClN4O2S2/c9-7-8-11-5-2-1-4(17(10,14)15)3-6(5)13(8)12-16-7/h1-3H,(H2,10,14,15)
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n/an/an/a 141n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210908
PNG
(3-morpholinbenzimidazo[1,2-c][1,2,3]thiadiazole-7-...)
Show SMILES NS(=O)(=O)c1ccc2nc3C(=S=Nn3c2c1)N1CCOCC1
Show InChI InChI=1S/C12H13N5O3S2/c13-22(18,19)8-1-2-9-10(7-8)17-11(14-9)12(21-15-17)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,13,18,19)
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n/an/an/a 38n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210907
PNG
(3-methylsulfonylbenzimidazo[1,2-c][1,2,3]thiadiazo...)
Show SMILES CS(=O)(=O)C1=S=Nn2c1nc1ccc(cc21)S(N)(=O)=O
Show InChI InChI=1S/C9H8N4O4S3/c1-19(14,15)9-8-11-6-3-2-5(20(10,16)17)4-7(6)13(8)12-18-9/h2-4H,1H3,(H2,10,16,17)
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Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210912
PNG
(3-phenylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-...)
Show SMILES NS(=O)(=O)c1ccc2nc3C(Sc4ccccc4)=S=Nn3c2c1
Show InChI InChI=1S/C14H10N4O2S3/c15-23(19,20)10-6-7-11-12(8-10)18-13(16-11)14(22-17-18)21-9-4-2-1-3-5-9/h1-8H,(H2,15,19,20)
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n/an/an/a 285n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210913
PNG
(3-(N-methylpiperazin)benzimidazo[1,2-c][1,2,3]thia...)
Show SMILES CN1CCN(CC1)C1=S=Nn2c1nc1ccc(cc21)S(N)(=O)=O
Show InChI InChI=1S/C13H16N6O2S2/c1-17-4-6-18(7-5-17)13-12-15-10-3-2-9(23(14,20)21)8-11(10)19(12)16-22-13/h2-3,8H,4-7H2,1H3,(H2,14,20,21)
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n/an/an/a 391n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210910
PNG
(3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-...)
Show SMILES CSC1=S=Nn2c1nc1ccc(cc21)S(N)(=O)=O
Show InChI InChI=1S/C9H8N4O2S3/c1-16-9-8-11-6-3-2-5(18(10,14)15)4-7(6)13(8)12-17-9/h2-4H,1H3,(H2,10,14,15)
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Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50210911
PNG
(CHEMBL442798 | benzimidazo[1,2-c][1,2,3]thiadiazol...)
Show SMILES NS(=O)(=O)c1ccc2nc3C=S=Nn3c2c1
Show InChI InChI=1S/C8H6N4O2S2/c9-16(13,14)5-1-2-6-7(3-5)12-8(10-6)4-15-11-12/h1-4H,(H2,9,13,14)
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n/an/an/a 286n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to bovine CA2 by typical isothermal titration calorimetry


Bioorg Med Chem Lett 17: 3335-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.100
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50236140
PNG
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#C
Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
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n/an/an/a 37n/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase2


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50271035
PNG
((S)-4-(1-(1-(3-aza-bicyclo[3.2.2]nonan-3-yl)-3-met...)
Show SMILES CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r,wU:3.16,THB:4:6:9.10:13.12,(12.04,-2.81,;11.56,-4.27,;10.05,-4.58,;12.58,-5.42,;14.09,-5.1,;15.11,-6.25,;14.57,-3.64,;15.59,-2.35,;15.19,-.74,;16.35,.25,;14.96,.02,;13.56,-1.17,;12.3,-.79,;13.73,-.09,;14.53,-2.3,;12.1,-6.88,;10.63,-7.35,;10.63,-8.89,;12.09,-9.37,;13,-8.13,;9.3,-9.67,;9.3,-11.22,;7.96,-11.99,;6.63,-11.22,;6.63,-9.67,;7.96,-8.9,;5.29,-11.99,;3.95,-12.75,;6.06,-13.33,;4.54,-10.65,)|
Show InChI InChI=1S/C21H29N5O3S/c1-14(2)20(21(27)25-11-15-3-4-16(12-25)6-5-15)26-13-19(23-24-26)17-7-9-18(10-8-17)30(22,28)29/h7-10,13-16,20H,3-6,11-12H2,1-2H3,(H2,22,28,29)/t15?,16?,20-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase2


J Med Chem 51: 3661-80 (2008)


Article DOI: 10.1021/jm8000373
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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n/an/an/a 890n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to bovine carbonic anhydrase-2 assessed as dissociation constant by SPR method


J Med Chem 59: 4245-56 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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n/an/an/a 4.26E+3n/a 1.43E+5 0.6117.425



University of Dundee



Assay Description
SPR biosensor assay Biacore T100


ACS Med Chem Lett 1: 44-8 (2010)

More data for this
Ligand-Target Pair