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Compile Data Set for Download or QSAR

Found 160 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase II'   
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)
BDBM50004262
PNG
(CHEMBL1438301)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C12H11N3O3S3/c13-21(17,18)9-5-3-8(4-6-9)14-12(19)15-11(16)10-2-1-7-20-10/h1-7H,(H2,13,17,18)(H2,14,15,16,19)
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n/an/a 11n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068231
PNG
(CHEMBL3403326)
Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H15FN2O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10H2,(H2,16,18,19)
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n/an/a 35n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004258
PNG
(CHEMBL3237498)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccs2)c1
Show InChI InChI=1S/C12H11N3O3S3/c13-21(17,18)9-4-1-3-8(7-9)14-12(19)15-11(16)10-5-2-6-20-10/h1-7H,(H2,13,17,18)(H2,14,15,16,19)
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n/an/a 52n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068223
PNG
(CHEMBL3403323)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O4S2/c1-10-2-6-13(7-3-10)21(18,19)15-11-4-8-12(9-5-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
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n/an/a 57n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068229
PNG
(CHEMBL3403327)
Show SMILES NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C12H11FN2O4S2/c13-9-4-6-11(7-5-9)21(18,19)15-10-2-1-3-12(8-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
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n/an/a 100n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM16661
PNG
(1-N-(4-fluorobenzene)benzene-1,4-disulfonamide | a...)
Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C12H11FN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
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n/an/a 100n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068225
PNG
(CHEMBL3403324)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
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n/an/a 134n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068227
PNG
(CHEMBL3403325)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N2O4S2/c1-10-5-7-12(8-6-10)21(18,19)15-11-3-2-4-13(9-11)20(14,16)17/h2-9,15H,1H3,(H2,14,16,17)
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n/an/a 152n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
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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n/an/a 180n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50247721
PNG
(4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide |...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)
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n/an/a 215n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004252
PNG
(CHEMBL3237493)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-4-1-3-9(7-10)13(19)18-14(22)17-11-5-2-6-12(8-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
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n/an/a 220n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068226
PNG
(CHEMBL1607835)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H18N2O4S2/c1-12-2-6-15(7-3-12)23(20,21)17-11-10-13-4-8-14(9-5-13)22(16,18)19/h2-9,17H,10-11H2,1H3,(H2,16,18,19)
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n/an/a 241n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004255
PNG
(CHEMBL1330833)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H12N4O5S2/c15-25(22,23)12-6-2-4-10(8-12)16-14(24)17-13(19)9-3-1-5-11(7-9)18(20)21/h1-8H,(H2,15,22,23)(H2,16,17,19,24)
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n/an/a 490n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068218
PNG
(CHEMBL3403318)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-12(7-9-14)10-11-17-15(18)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)
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n/an/a 544n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068221
PNG
(CHEMBL3403321)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H15FN2O3S/c16-13-5-3-12(4-6-13)15(19)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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n/an/a 656n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068228
PNG
(CHEMBL3403317)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-11(7-9-13)10-16-14(17)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,18,19)
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n/an/a 691n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50068220
PNG
(CHEMBL3403320)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c15-12-5-3-11(4-6-12)14(18)17-9-10-1-7-13(8-2-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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n/an/a 821n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
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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n/an/a 960n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
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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n/an/a 960n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase 2 assessed as hydrolysis of p-nitrophenyl acetate after 30 mins by spectrophotometric method


Bioorg Med Chem 23: 2435-44 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004260
PNG
(CHEMBL3237499)
Show SMILES CC(C)(C)C(=O)NC(=S)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H17N3O3S2/c1-12(2,3)10(16)15-11(19)14-8-5-4-6-9(7-8)20(13,17)18/h4-7H,1-3H3,(H2,13,17,18)(H2,14,15,16,19)
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n/an/a 1.28E+3n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222428
PNG
(N'',N'''-Bis[(E)-(4-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-1-5-13(6-2-11)20(23)24)19-17-10-12-3-7-14(8-4-12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222430
PNG
(N'',N'''-Bis[(E)-(2-chloro-5-nitrophenyl)methy...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(\C=N\NC(=O)N\N=C\c2cc(ccc2Cl)[N+]([O-])=O)c1
Show InChI InChI=1S/C15H10Cl2N6O5/c16-13-3-1-11(22(25)26)5-9(13)7-18-20-15(24)21-19-8-10-6-12(23(27)28)2-4-14(10)17/h1-8H,(H2,20,21,24)/b18-7+,19-8+
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n/an/a 1.37E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase II


(Rattus norvegicus)
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay


J Med Chem 48: 1941-7 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222435
PNG
(N'',N'''-Bis[(E)-(2,6-dichlorophenyl)methylide...)
Show SMILES Clc1cccc(Cl)c1\C=N\NC(=O)N\N=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-4-12(17)9(11)7-20-22-15(24)23-21-8-10-13(18)5-2-6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+
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n/an/a 1.46E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222429
PNG
(N'',N'''-Bis[(E)-(2-nitrophenyl)methylidene]ca...)
Show SMILES [O-][N+](=O)c1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H12N6O5/c22-15(18-16-9-11-5-1-3-7-13(11)20(23)24)19-17-10-12-6-2-4-8-14(12)21(25)26/h1-10H,(H2,18,19,22)/b16-9+,17-10+
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n/an/a 1.85E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

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/a 1.86E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222431
PNG
(N'',N'''-Bis[(E)-(4-bromophenyl)methylidene]ca...)
Show SMILES Brc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H12Br2N4O/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 2.32E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222433
PNG
(N'',N'''-Bis[(E)-(2-chlorophenyl)methylidene]c...)
Show SMILES Clc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Cl
Show InChI InChI=1S/C15H12Cl2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 2.33E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222434
PNG
(N'',N'''-Bis[(E)-(2,4-dichlorophenyl)methylide...)
Show SMILES Clc1ccc(\C=N\NC(=O)N\N=C\c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C15H10Cl4N4O/c16-11-3-1-9(13(18)5-11)7-20-22-15(24)23-21-8-10-2-4-12(17)6-14(10)19/h1-8H,(H2,22,23,24)/b20-7+,21-8+
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n/an/a 2.67E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM222432
PNG
(N'',N'''-Bis[(E)-(2-bromophenyl)methylidene]ca...)
Show SMILES Brc1ccccc1\C=N\NC(=O)N\N=C\c1ccccc1Br
Show InChI InChI=1S/C15H12Br2N4O/c16-13-7-3-1-5-11(13)9-18-20-15(22)21-19-10-12-6-2-4-8-14(12)17/h1-10H,(H2,20,21,22)/b18-9+,19-10+
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n/an/a 3.96E+3n/an/an/an/an/an/a



University of Karachi; Government College University Faisalabad



Assay Description
In this assay, 4-nitrophenyl acetate (4-NPA), a colorless compound, was hydrolyzed to 4-nitrophenol and CO2. The reaction was followed by measuring t...


Bioorg Chem 72: 89-101 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004259
PNG
(CHEMBL1494785)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C18H23N3O3S2/c19-26(23,24)15-3-1-2-14(7-15)20-17(25)21-16(22)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H2,19,23,24)(H2,20,21,22,25)
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n/an/a 5.58E+3n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004253
PNG
(CHEMBL3237494)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C14H12ClN3O3S2/c15-10-6-4-9(5-7-10)13(19)18-14(22)17-11-2-1-3-12(8-11)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
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n/an/a 5.64E+3n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004257
PNG
(CHEMBL3237497)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccco2)c1
Show InChI InChI=1S/C12H11N3O4S2/c13-21(17,18)9-4-1-3-8(7-9)14-12(20)15-11(16)10-5-2-6-19-10/h1-7H,(H2,13,17,18)(H2,14,15,16,20)
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n/an/a 9.76E+3n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004263
PNG
(CHEMBL3237501)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C17H13N3O5S2/c18-27(23,24)12-7-5-11(6-8-12)19-17(26)20-15(21)13-9-10-3-1-2-4-14(10)25-16(13)22/h1-9H,(H2,18,23,24)(H2,19,20,21,26)
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n/an/a 1.13E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004261
PNG
(CHEMBL3237500)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H13N3O5S2/c18-27(23,24)12-6-3-5-11(9-12)19-17(26)20-15(21)13-8-10-4-1-2-7-14(10)25-16(13)22/h1-9H,(H2,18,23,24)(H2,19,20,21,26)
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n/an/a 1.34E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004251
PNG
(CHEMBL3237492)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1
Show InChI InChI=1S/C14H12ClN3O3S2/c15-12-7-2-1-6-11(12)13(19)18-14(22)17-9-4-3-5-10(8-9)23(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19,22)
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n/an/a 1.35E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004256
PNG
(CHEMBL3237496)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H11N5O7S2/c15-28(25,26)12-3-1-2-9(6-12)16-14(27)17-13(20)8-4-10(18(21)22)7-11(5-8)19(23)24/h1-7H,(H2,15,25,26)(H2,16,17,20,27)
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n/an/a 1.42E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193814
PNG
(N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12)[N+]([O-])=O
Show InChI InChI=1S/C30H22Cl2N4O4S/c1-17-2-9-22(36(37)38)14-29(17)41(39,40)35-21-7-3-18(4-8-21)30(25-15-33-27-10-5-19(31)12-23(25)27)26-16-34-28-11-6-20(32)13-24(26)28/h2-16,30,33-35H,1H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193812
PNG
(N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C29H19Cl2N5O6S/c30-17-3-8-25-21(11-17)23(14-32-25)29(24-15-33-26-9-4-18(31)12-22(24)26)16-1-5-19(6-2-16)34-43(41,42)28-10-7-20(35(37)38)13-27(28)36(39)40/h1-15,29,32-34H
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n/an/a 1.56E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193811
PNG
(N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-2,...)
Show SMILES Clc1ccc2[nH]cc(C(c3c[nH]c4ccc(Cl)cc34)c3ccc(NS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc3)c2c1
Show InChI InChI=1S/C29H18Cl5N3O2S/c30-16-3-7-26-19(9-16)21(13-35-26)29(22-14-36-27-8-4-17(31)10-20(22)27)15-1-5-18(6-2-15)37-40(38,39)28-12-24(33)23(32)11-25(28)34/h1-14,29,35-37H
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n/an/a 1.63E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM50004254
PNG
(CHEMBL3237495)
Show SMILES NS(=O)(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C14H11Cl2N3O3S2/c15-8-4-5-11(12(16)6-8)13(20)19-14(23)18-9-2-1-3-10(7-9)24(17,21)22/h1-7H,(H2,17,21,22)(H2,18,19,20,23)
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n/an/a 1.71E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition mea...


Eur J Med Chem 78: 140-50 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193801
PNG
(N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-3,5...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C29H19Br2Cl2N3O3S/c30-16-3-7-25-20(9-16)22(13-34-25)28(23-14-35-26-8-4-17(31)10-21(23)26)15-1-5-19(6-2-15)36-40(38,39)27-12-18(32)11-24(33)29(27)37/h1-14,28,34-37H
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n/an/a 1.88E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193816
PNG
(N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-3,...)
Show SMILES Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C29H19Cl4N3O3S/c30-16-3-7-25-20(9-16)22(13-34-25)28(23-14-35-26-8-4-17(31)10-21(23)26)15-1-5-19(6-2-15)36-40(38,39)27-12-18(32)11-24(33)29(27)37/h1-14,28,34-37H
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n/an/a 2.02E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193797
PNG
(N-(4-(bis(5-bromo-1H-indol-3-yl)methyl)phenyl)-2,4...)
Show SMILES [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C29H19Br2N5O6S/c30-17-3-8-25-21(11-17)23(14-32-25)29(24-15-33-26-9-4-18(31)12-22(24)26)16-1-5-19(6-2-16)34-43(41,42)28-10-7-20(35(37)38)13-27(28)36(39)40/h1-15,29,32-34H
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n/an/a 2.89E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM152666
PNG
Show SMILES Brc1cccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
Show InChI InChI=1S/C30H21Br3N4S/c31-18-2-1-3-22(12-18)37-30(38)36-21-8-4-17(5-9-21)29(25-15-34-27-10-6-19(32)13-23(25)27)26-16-35-28-11-7-20(33)14-24(26)28/h1-16,29,34-35H,(H2,36,37,38)
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n/an/a 3.01E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 62: 83-93 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM152668
PNG
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C30H21Br2N5O2S/c31-18-3-11-27-23(13-18)25(15-33-27)29(26-16-34-28-12-4-19(32)14-24(26)28)17-1-5-20(6-2-17)35-30(40)36-21-7-9-22(10-8-21)37(38)39/h1-16,29,33-34H,(H2,35,36,40)
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n/an/a 3.23E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 62: 83-93 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM152684
PNG
(1-(4-Nitrophenyl)-3-(3-(di(1H-indol-3-yl)methyl)ph...)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2cccc(c2)C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C30H23N5O2S/c36-35(37)22-14-12-20(13-15-22)33-30(38)34-21-7-5-6-19(16-21)29(25-17-31-27-10-3-1-8-23(25)27)26-18-32-28-11-4-2-9-24(26)28/h1-18,29,31-32H,(H2,33,34,38)
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n/an/a 3.29E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 62: 83-93 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM152669
PNG
Show SMILES Clc1ccc(Cl)c(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
Show InChI InChI=1S/C30H20Br2Cl2N4S/c31-17-3-9-26-21(11-17)23(14-35-26)29(24-15-36-27-10-4-18(32)12-22(24)27)16-1-6-20(7-2-16)37-30(39)38-28-13-19(33)5-8-25(28)34/h1-15,29,35-36H,(H2,37,38,39)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 62: 83-93 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM193779
PNG
(N-(4-(di(1H-indol-3-yl)methyl)phenyl)-2-nitrobenze...)
Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H22N4O4S/c34-33(35)27-11-5-6-12-28(27)38(36,37)32-20-15-13-19(14-16-20)29(23-17-30-25-9-3-1-7-21(23)25)24-18-31-26-10-4-2-8-22(24)26/h1-18,29-32H
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n/an/a 3.59E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 68: 90-104 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus)
BDBM152671
PNG
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(cc2)C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C30H21Cl2N5O2S/c31-18-3-11-27-23(13-18)25(15-33-27)29(26-16-34-28-12-4-19(32)14-24(26)28)17-1-5-20(6-2-17)35-30(40)36-21-7-9-22(10-8-21)37(38)39/h1-16,29,33-34H,(H2,35,36,40)
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n/an/a 3.97E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...


Bioorg Chem 62: 83-93 (2015)

More data for this
Ligand-Target Pair
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