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Compile Data Set for Download or QSAR

Found 37 hits of ic50 data for polymerid = 10154,50006824   
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 6


(Bos taurus)		BDBM50212308
PNG
(CHEMBL130950)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)s1
Show InChI InChI=1S/C19H19N5O5S2/c20-31(27,28)19-24-23-17(30-19)22-16(25)15(11-13-7-3-1-4-8-13)21-18(26)29-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,21,26)(H2,20,27,28)(H,22,23,25)/t15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212306
PNG
(CHEMBL129880)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N5O5S2/c1-8(15-12(20)23-7-9-5-3-2-4-6-9)10(19)16-11-17-18-13(24-11)25(14,21)22/h2-6,8H,7H2,1H3,(H,15,20)(H2,14,21,22)(H,16,17,19)/t8-/m0/s1
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212310
PNG
(CHEMBL335243)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC(=O)OCc2ccccc2)s1
Show InChI InChI=1S/C12H13N5O5S2/c13-24(20,21)12-17-16-10(23-12)15-9(18)6-14-11(19)22-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,19)(H2,13,20,21)(H,15,16,18)
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212307
PNG
(CHEMBL336554)
Show SMILES Br.C[C@H](N)C(=O)Nc1nnc(s1)S(N)(=O)=O |r|
Show InChI InChI=1S/C5H9N5O3S2.BrH/c1-2(6)3(11)8-4-9-10-5(14-4)15(7,12)13;/h2H,6H2,1H3,(H2,7,12,13)(H,8,9,11);1H/t2-;/m0./s1
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50080659
PNG
(2-Amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-ace...)
Show SMILES NCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N5O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1,5H2,(H2,6,11,12)(H,7,8,10)
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50004172
PNG
(CHEMBL544763 | Sulfamic acid 2-(4-imidazol-1-yl-ph...)
Show SMILES NS(=O)(=O)OCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C11H13N3O4S/c12-19(15,16)18-8-7-17-11-3-1-10(2-4-11)14-6-5-13-9-14/h1-6,9H,7-8H2,(H2,12,15,16)
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n/an/a 23n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212316
PNG
(CHEMBL133619)
Show SMILES Br.N[C@@H](Cc1ccccc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |r|
Show InChI InChI=1S/C11H13N5O3S2.BrH/c12-8(6-7-4-2-1-3-5-7)9(17)14-10-15-16-11(20-10)21(13,18)19;/h1-5,8H,6,12H2,(H2,13,18,19)(H,14,15,17);1H/t8-;/m0./s1
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230218
PNG
(CHEMBL545555)
Show SMILES Cl.NS(=O)(=O)Oc1cccc(c1)-n1ccnc1
Show InChI InChI=1S/C9H9N3O3S/c10-16(13,14)15-9-3-1-2-8(6-9)12-5-4-11-7-12/h1-7H,(H2,10,13,14)
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n/an/a 42n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230217
PNG
(CHEMBL555867)
Show SMILES Cl.Cc1nccn1-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S/c1-8-12-5-6-13(8)9-3-2-4-10(7-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
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n/an/a 50n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230221
PNG
(CHEMBL541599)
Show SMILES Cl.NS(=O)(=O)OCCOc1cccc(c1)-n1ccnc1
Show InChI InChI=1S/C11H13N3O4S/c12-19(15,16)18-7-6-17-11-3-1-2-10(8-11)14-5-4-13-9-14/h1-5,8-9H,6-7H2,(H2,12,15,16)
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A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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 72n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230214
PNG
(CHEMBL555738)
Show SMILES Cl.Cc1nccn1-c1cccc(OCCOS(N)(=O)=O)c1
Show InChI InChI=1S/C12H15N3O4S/c1-10-14-5-6-15(10)11-3-2-4-12(9-11)18-7-8-19-20(13,16)17/h2-6,9H,7-8H2,1H3,(H2,13,16,17)
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n/an/a 77n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230219
PNG
(CHEMBL545088)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H11N3O3S/c1-8-6-13(7-12-8)9-3-2-4-10(5-9)16-17(11,14)15/h2-7H,1H3,(H2,11,14,15)
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n/an/a 94n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230216
PNG
(CHEMBL553542)
Show SMILES Cl.NS(=O)(=O)Oc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C9H9N3O3S/c10-16(13,14)15-9-3-1-8(2-4-9)12-6-5-11-7-12/h1-7H,(H2,10,13,14)
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n/an/a 120n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230220
PNG
(CHEMBL555771)
Show SMILES Cl.Cc1cn(cn1)-c1cccc(OCCOS(N)(=O)=O)c1
Show InChI InChI=1S/C12H15N3O4S/c1-10-8-15(9-14-10)11-3-2-4-12(7-11)18-5-6-19-20(13,16)17/h2-4,7-9H,5-6H2,1H3,(H2,13,16,17)
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n/an/a 210n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50230215
PNG
(CHEMBL543683)
Show SMILES Cl.NS(=O)(=O)OCCCOc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C12H15N3O4S/c13-20(16,17)19-9-1-8-18-12-4-2-11(3-5-12)15-7-6-14-10-15/h2-7,10H,1,8-9H2,(H2,13,16,17)
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n/an/a 250n/an/an/an/an/an/a



A.H. Robins Company

Curated by ChEMBL


Assay Description
Bovine erythrocyte carbonic anhydrase inhibitory activity of the compound.

J Med Chem 35: 4790-4 (1992)


BindingDB Entry DOI: 10.7270/Q2MS3W1G
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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n/an/a 340n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212309
PNG
(CHEMBL91302)
Show SMILES NCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c8-4-2-1-3-5(13)10-6-11-12-7(16-6)17(9,14)15/h1-4,8H2,(H2,9,14,15)(H,10,11,13)
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212309
PNG
(CHEMBL91302)
Show SMILES NCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c8-4-2-1-3-5(13)10-6-11-12-7(16-6)17(9,14)15/h1-4,8H2,(H2,9,14,15)(H,10,11,13)
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212305
PNG
(CHEMBL129895)
Show SMILES CC(C)COC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O4S2/c1-4(2)3-15-6(12)9-5-10-11-7(16-5)17(8,13)14/h4H,3H2,1-2H3,(H2,8,13,14)(H,9,10,12)
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)		BDBM50212305
PNG
(CHEMBL129895)
Show SMILES CC(C)COC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O4S2/c1-4(2)3-15-6(12)9-5-10-11-7(16-5)17(8,13)14/h4H,3H2,1-2H3,(H2,8,13,14)(H,9,10,12)
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TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JW8H2P
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237305
PNG
(4-Methyl-N-(4-nitrophenyl) benzenesulfonamide (11))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-2-8-13(9-3-10)20(18,19)14-11-4-6-12(7-5-11)15(16)17/h2-9,14H,1H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(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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n/an/a 1.21E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237304
PNG
(N-(4-cyanophenyl)-4-methylbenzenesulfonamide (10))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-2-8-14(9-3-11)19(17,18)16-13-6-4-12(10-15)5-7-13/h2-9,16H,1H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237302
PNG
(4-Methyl-N-(2-nitrophenyl) benzenesulfonamide (7))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O4S/c1-10-6-8-11(9-7-10)20(18,19)14-12-4-2-3-5-13(12)15(16)17/h2-9,14H,1H3
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n/an/a 4.71E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237301
PNG
(N-(2-cyanophenyl)-4-methylbenzenesulfonamide (6))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C#N
Show InChI InChI=1S/C14H12N2O2S/c1-11-6-8-13(9-7-11)19(17,18)16-14-5-3-2-4-12(14)10-15/h2-9,16H,1H3
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n/an/a 8.43E+3n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50166571
PNG
(2-sulfanilamidopyrimidine | 2-sulfanilylaminopyrim...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
Show InChI InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50428400
PNG
(CA inhibitor, 2 | CHEMBL182659 | [(4-Methylphenyl)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM39340
PNG
(4-Amino-N-(pyrimidin-2-yl) benzenesulfonamide (Sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237281
PNG
(Carbonic anhydrase inhibitors (CAIs), 1)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
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n/an/a 2.43E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237303
PNG
(N-(4-ethylphenyl)-4-methylbenzenesulfonamide (9))
Show SMILES CCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C15H17NO2S/c1-3-13-6-8-14(9-7-13)16-19(17,18)15-10-4-12(2)5-11-15/h4-11,16H,3H2,1-2H3
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n/an/a 2.65E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM237300
PNG
(4-Methyl-N-o-tolyl-benzenesulfonamide (5))
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C
Show InChI InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50044857
PNG
(CA inhibitor, 4 | CHEMBL3311314)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C16H19NO2S/c1-11-5-7-15(8-6-11)20(18,19)17-16-13(3)9-12(2)10-14(16)4/h5-10,17H,1-4H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM50296250
PNG
((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...)
Show SMILES COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |r|
Show InChI InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1
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n/an/a 3.57E+4n/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay

Bioorg Med Chem Lett 19: 4102-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.002
BindingDB Entry DOI: 10.7270/Q23778S7
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Homo sapiens (Human))		BDBM45795
PNG
(4-methyl-N-(2-naphthalenyl)benzenesulfonamide | 4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C17H15NO2S/c1-13-6-10-17(11-7-13)21(19,20)18-16-9-8-14-4-2-3-5-15(14)12-16/h2-12,18H,1H3
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n/an/a 4.24E+4n/an/an/an/an/an/a



Ataturk University



Assay Description
Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...

J Enzyme Inhib Med Chem 27: 818-24 (2012)


Article DOI: 10.3109/14756366.2011.617745
BindingDB Entry DOI: 10.7270/Q2G73CKP
More data for this
Ligand-Target Pair