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Compile Data Set for Download or QSAR

Found 120 hits from A.P.S. University   
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 2


(Homo sapiens (human))
BDBM10858
PNG
(4-hydrazinylbenzene-1-sulfonamide | CHEMBL7204 | a...)
Show SMILES NNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H9N3O2S/c7-9-5-1-3-6(4-2-5)12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
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PubMed
3.12E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
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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PubMed
3.33E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | US1017...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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3.39E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222600
PNG
(CHEMBL335119)
Show SMILES NS(=O)(=O)c1ccccc1C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C13H10N2O5S/c14-21(19,20)11-7-2-1-4-8(11)12(16)9-5-3-6-10(15-9)13(17)18/h1-7H,(H,17,18)(H2,14,19,20)
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3.57E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079028
PNG
(6-(4-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxy...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)9-6-4-8(5-7-9)15-12(17)10-2-1-3-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
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3.64E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079054
PNG
(6-[N'-(4-Sulfamoyl-phenyl)-hydrazinocarbonyl]-pyri...)
Show SMILES NS(=O)(=O)c1ccc(NNC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)9-6-4-8(5-7-9)16-17-12(18)10-2-1-3-11(15-10)13(19)20/h1-7,16H,(H,17,18)(H,19,20)(H2,14,21,22)
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3.70E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079029
PNG
(6-(2-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxy...)
Show SMILES NS(=O)(=O)c1ccccc1NC(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)11-7-2-1-4-8(11)16-12(17)9-5-3-6-10(15-9)13(18)19/h1-7H,(H,16,17)(H,18,19)(H2,14,20,21)
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3.85E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222615
PNG
(CHEMBL138022)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C13H10N2O5S/c14-21(19,20)9-4-1-3-8(7-9)12(16)10-5-2-6-11(15-10)13(17)18/h1-7H,(H,17,18)(H2,14,19,20)
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4.00E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079050
PNG
(6-(3-Sulfamoyl-phenylcarbamoyl)-pyridine-2-carboxy...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cccc(n2)C(O)=O)c1
Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)9-4-1-3-8(7-9)15-12(17)10-5-2-6-11(16-10)13(18)19/h1-7H,(H,15,17)(H,18,19)(H2,14,20,21)
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4.13E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079047
PNG
(3-Amino-benzenesulfonamide | 3-aminobenzenesulfona...)
Show SMILES Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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4.17E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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5.88E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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6.25E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222608
PNG
(CHEMBL138255)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C13H10N2O5S/c14-21(19,20)9-6-4-8(5-7-9)12(16)10-2-1-3-11(15-10)13(17)18/h1-7H,(H,17,18)(H2,14,19,20)
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7.58E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10876
PNG
(4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL691...)
Show SMILES NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
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8.00E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222608
PNG
(CHEMBL138255)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)c1cccc(n1)C(O)=O
Show InChI InChI=1S/C13H10N2O5S/c14-21(19,20)9-6-4-8(5-7-9)12(16)10-2-1-3-11(15-10)13(17)18/h1-7H,(H,17,18)(H2,14,19,20)
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8.26E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10863
PNG
(4-Amino-3-chlorobenzenesulfonamide | 4-amino-3-chl...)
Show SMILES Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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9.09E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10877
PNG
(4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...)
Show SMILES NS(=O)(=O)c1ccc(CCO)cc1
Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
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9.09E+6n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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1.33E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10865
PNG
(4-Amino-3-iodobenzenesulfonamide | 4-amino-3-iodob...)
Show SMILES Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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1.43E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10862
PNG
(4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...)
Show SMILES Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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1.67E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222617
PNG
(CHEMBL138260)
Show SMILES NS(=O)(=O)c1ccc(C(=O)c2cccc(n2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C13H9ClN2O5S/c14-9-6-7(22(15,20)21)4-5-8(9)12(17)10-2-1-3-11(16-10)13(18)19/h1-6H,(H,18,19)(H2,15,20,21)
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2.27E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222606
PNG
(CHEMBL140118)
Show SMILES NS(=O)(=O)c1ccc(CC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C14H12N2O5S/c15-22(20,21)10-6-4-9(5-7-10)8-13(17)11-2-1-3-12(16-11)14(18)19/h1-7H,8H2,(H,18,19)(H2,15,20,21)
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2.38E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10864
PNG
(4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...)
Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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PubMed
2.50E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079065
PNG
(6-(4-Sulfamoyl-benzylcarbamoyl)-pyridine-2-carboxy...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C14H13N3O5S/c15-23(21,22)10-6-4-9(5-7-10)8-16-13(18)11-2-1-3-12(17-11)14(19)20/h1-7H,8H2,(H,16,18)(H,19,20)(H2,15,21,22)
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PubMed
2.78E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222541
PNG
(CHEMBL445640)
Show SMILES NS(=O)(=O)c1ccc(C(=O)c2cccc(n2)C(O)=O)c(I)c1
Show InChI InChI=1S/C13H9IN2O5S/c14-9-6-7(22(15,20)21)4-5-8(9)12(17)10-2-1-3-11(16-10)13(18)19/h1-6H,(H,18,19)(H2,15,20,21)
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PubMed
3.03E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222599
PNG
(CHEMBL141206)
Show SMILES NS(=O)(=O)c1ccc(C(=O)c2cccc(n2)C(O)=O)c(Br)c1
Show InChI InChI=1S/C13H9BrN2O5S/c14-9-6-7(22(15,20)21)4-5-8(9)12(17)10-2-1-3-11(16-10)13(18)19/h1-6H,(H,18,19)(H2,15,20,21)
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PubMed
3.22E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079046
PNG
(6-(2-Iodo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(I)c1
Show InChI InChI=1S/C13H10IN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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PubMed
3.23E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079060
PNG
(6-(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(Br)c1
Show InChI InChI=1S/C13H10BrN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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PubMed
3.33E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222601
PNG
(CHEMBL140463)
Show SMILES Nc1c(Cl)c(N)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H9ClN4O4S2/c7-4-5(8)2(16(10,12)13)1-3(6(4)9)17(11,14)15/h1H,8-9H2,(H2,10,12,13)(H2,11,14,15)
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PubMed
3.57E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079038
PNG
(6-(2-Chloro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C13H10ClN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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PubMed
4.00E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222618
PNG
(CHEMBL342368)
Show SMILES NS(=O)(=O)c1ccc(CON2C(=O)c3cccnc3C2=O)cc1
Show InChI InChI=1S/C14H11N3O5S/c15-23(20,21)10-5-3-9(4-6-10)8-22-17-13(18)11-2-1-7-16-12(11)14(17)19/h1-7H,8H2,(H2,15,20,21)
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PubMed
5.00E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222603
PNG
(CHEMBL141112)
Show SMILES NS(=O)(=O)c1ccc(CCON2C(=O)c3cccnc3C2=O)cc1
Show InChI InChI=1S/C15H13N3O5S/c16-24(21,22)11-5-3-10(4-6-11)7-9-23-18-14(19)12-2-1-8-17-13(12)15(18)20/h1-6,8H,7,9H2,(H2,16,21,22)
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PubMed
6.67E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222602
PNG
(CHEMBL141454)
Show SMILES NS(=O)(=O)c1cc(c(C(=O)c2cccc(n2)C(O)=O)c(Cl)c1C(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C20H13ClN4O10S2/c21-16-14(17(26)8-3-1-5-10(24-8)19(28)29)12(36(22,32)33)7-13(37(23,34)35)15(16)18(27)9-4-2-6-11(25-9)20(30)31/h1-7H,(H,28,29)(H,30,31)(H2,22,32,33)(H2,23,34,35)
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PubMed
8.33E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222605
PNG
(CHEMBL141953)
Show SMILES NS(=O)(=O)c1ccc(C(=O)c2cccc(n2)C(O)=O)c(F)c1
Show InChI InChI=1S/C13H9FN2O5S/c14-9-6-7(22(15,20)21)4-5-8(9)12(17)10-2-1-3-11(16-10)13(18)19/h1-6H,(H,18,19)(H2,15,20,21)
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PubMed
1.00E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222604
PNG
(CHEMBL139032)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1NC(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClN6O10S2/c21-14-15(26-17(28)8-3-1-5-10(24-8)19(30)31)12(38(22,34)35)7-13(39(23,36)37)16(14)27-18(29)9-4-2-6-11(25-9)20(32)33/h1-7H,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H2,22,34,35)(H2,23,36,37)
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PubMed
1.00E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222607
PNG
(CHEMBL142169)
Show SMILES NS(=O)(=O)c1ccc(CCC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H14N2O5S/c16-23(21,22)11-7-4-10(5-8-11)6-9-14(18)12-2-1-3-13(17-12)15(19)20/h1-5,7-8H,6,9H2,(H,19,20)(H2,16,21,22)
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PubMed
1.11E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079052
PNG
(6-(5-Chloro-2,4-disulfamoyl-phenylcarbamoyl)-pyrid...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25)
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PubMed
1.11E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50222616
PNG
(CHEMBL140515)
Show SMILES NS(=O)(=O)c1cc(c(cc1Cl)C(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H10ClN3O7S2/c14-7-4-6(10(25(15,21)22)5-11(7)26(16,23)24)12(18)8-2-1-3-9(17-8)13(19)20/h1-5H,(H,19,20)(H2,15,21,22)(H2,16,23,24)
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PubMed
1.11E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079067
PNG
(6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(F)c1
Show InChI InChI=1S/C13H10FN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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PubMed
1.25E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079051
PNG
(6-[2-(4-Sulfamoyl-phenyl)-ethylcarbamoyl]-pyridine...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23)
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1.43E+8n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (CAII)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50079051
PNG
(6-[2-(4-Sulfamoyl-phenyl)-ethylcarbamoyl]-pyridine...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H15N3O5S/c16-24(22,23)11-6-4-10(5-7-11)8-9-17-14(19)12-2-1-3-13(18-12)15(20)21/h1-7H,8-9H2,(H,17,19)(H,20,21)(H2,16,22,23)
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4.00E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50079067
PNG
(6-(2-Fluoro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(F)c1
Show InChI InChI=1S/C13H10FN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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4.40E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50222605
PNG
(CHEMBL141953)
Show SMILES NS(=O)(=O)c1ccc(C(=O)c2cccc(n2)C(O)=O)c(F)c1
Show InChI InChI=1S/C13H9FN2O5S/c14-9-6-7(22(15,20)21)4-5-8(9)12(17)10-2-1-3-11(16-10)13(18)19/h1-6H,(H,18,19)(H2,15,20,21)
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4.60E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50079052
PNG
(6-(5-Chloro-2,4-disulfamoyl-phenylcarbamoyl)-pyrid...)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C13H11ClN4O7S2/c14-6-4-9(11(27(16,24)25)5-10(6)26(15,22)23)18-12(19)7-2-1-3-8(17-7)13(20)21/h1-5H,(H,18,19)(H,20,21)(H2,15,22,23)(H2,16,24,25)
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4.80E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50222607
PNG
(CHEMBL142169)
Show SMILES NS(=O)(=O)c1ccc(CCC(=O)c2cccc(n2)C(O)=O)cc1
Show InChI InChI=1S/C15H14N2O5S/c16-23(21,22)11-7-4-10(5-8-11)6-9-14(18)12-2-1-3-13(17-12)15(19)20/h1-5,7-8H,6,9H2,(H,19,20)(H2,16,21,22)
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5.40E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50222604
PNG
(CHEMBL139032)
Show SMILES NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1NC(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C20H15ClN6O10S2/c21-14-15(26-17(28)8-3-1-5-10(24-8)19(30)31)12(38(22,34)35)7-13(39(23,36)37)16(14)27-18(29)9-4-2-6-11(25-9)20(32)33/h1-7H,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H2,22,34,35)(H2,23,36,37)
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5.50E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50222616
PNG
(CHEMBL140515)
Show SMILES NS(=O)(=O)c1cc(c(cc1Cl)C(=O)c1cccc(n1)C(O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H10ClN3O7S2/c14-7-4-6(10(25(15,21)22)5-11(7)26(16,23)24)12(18)8-2-1-3-9(17-8)13(19)20/h1-5H,(H,19,20)(H2,15,21,22)(H2,16,23,24)
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6.00E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50079046
PNG
(6-(2-Iodo-4-sulfamoyl-phenylcarbamoyl)-pyridine-2-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(I)c1
Show InChI InChI=1S/C13H10IN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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6.20E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM10864
PNG
(4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...)
Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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PubMed
6.60E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Bos taurus (bovine))
BDBM50079038
PNG
(6-(2-Chloro-4-sulfamoyl-phenylcarbamoyl)-pyridine-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C13H10ClN3O5S/c14-8-6-7(23(15,21)22)4-5-9(8)17-12(18)10-2-1-3-11(16-10)13(19)20/h1-6H,(H,17,18)(H,19,20)(H2,15,21,22)
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6.60E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CAIV)


Bioorg Med Chem Lett 13: 447-53 (2003)


Article DOI: 10.1016/s0960-894x(02)00954-x
More data for this
Ligand-Target Pair
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