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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' AND taxid = 4224   
Target
(Institution)
LigandTarget
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


(Bos taurus-Bos taurus (bovine))
BDBM50070606
PNG
(CHEMBL3408993)
Show SMILES [O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Show InChI InChI=1S/C13H12N5O4S3.ClHO4/c14-24(19,20)13-16-15-12(23-13)17-25(21,22)11-6-4-10(5-7-11)18-8-2-1-3-9-18;2-1(3,4)5/h1-9H,(H,15,17)(H2,14,19,20);(H,2,3,4,5)/q+1;/p-1
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2n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 5


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Flaveria bidentis)
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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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Flaveria bidentis carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Flaveria bidentis)
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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27n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Flaveria bidentis)
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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27n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine - CNR

Curated by ChEMBL


Assay Description
Inhibition of Flaveria bidentis recombinant CA by CO2 hydration assay


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50028010
PNG
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | ZONISA...)
Show SMILES OS(=N)(=O)Cc1noc2ccccc12
Show InChI InChI=1/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/a 1.86E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide)
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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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50028011
PNG
(CHEMBL3360810)
Show SMILES Cc1c(sc2sc(c(-c3ccccc3)c12)-c1ccc(C#N)c(=O)[nH]1)-c1ccc(C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C25H15N3O4S2/c1-12-18-19(13-5-3-2-4-6-13)21(17-9-7-14(11-26)22(29)27-17)34-25(18)33-20(12)16-10-8-15(24(31)32)23(30)28-16/h2-10H,1H3,(H,27,29)(H,28,30)(H,31,32)
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n/an/a 2.70E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50028012
PNG
(CHEMBL3360801)
Show SMILES CC(=C(C#N)C#N)c1sc2sc(C(C)=C(C#N)C#N)c(-c3ccccc3)c2c1C
Show InChI InChI=1S/C23H14N4S2/c1-13(17(9-24)10-25)21-15(3)19-20(16-7-5-4-6-8-16)22(29-23(19)28-21)14(2)18(11-26)12-27/h4-8H,1-3H3
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n/an/a 4.42E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM50044315
PNG
(CHEMBL69291 | Ethanesulfonic acid amide)
Show SMILES CCS(N)(=O)=O
Show InChI InChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair
Carbonic anhydrase I


(Homo sapiens (human))
BDBM50044318
PNG
(CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...)
Show SMILES CS(N)(=O)=O
Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of crude dog red blood cell carbonic anhydrase


J Med Chem 36: 2134-41 (1993)

More data for this
Ligand-Target Pair