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Compile Data Set for Download or QSAR

Found 21 hits of ic50 for UniProtKB: P18915   
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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n/an/a 7n/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)
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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n/an/a 8n/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)
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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n/an/a 9n/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)
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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n/an/a 10n/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)
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 16n/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)
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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n/an/a 30n/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)
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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n/an/a 69n/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)
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


(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)
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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n/an/a 550n/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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n/an/a 570n/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