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Compile Data Set for Download or QSAR

Found 102 hits from Assiut 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))
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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12n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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41n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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60n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(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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250n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221270
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=NNC(=O)Nc3nnc(S)s3)c2c1
Show InChI InChI=1S/C11H7N7O4S2/c19-8-7(5-3-4(18(21)22)1-2-6(5)12-8)14-15-9(20)13-10-16-17-11(23)24-10/h1-3H,(H,17,23)(H,12,14,19)(H2,13,15,16,20)
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1.25E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221273
PNG
(4-(4,5-dyl)-1-[alpha-(3-pyridyl)methylene]semicarb...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2cccnc2)s1
Show InChI InChI=1S/C9H8N6OS2/c16-7(12-8-14-15-9(17)18-8)13-11-5-6-2-1-3-10-4-6/h1-5H,(H,15,17)(H2,12,13,14,16)
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2.07E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221270
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=NNC(=O)Nc3nnc(S)s3)c2c1
Show InChI InChI=1S/C11H7N7O4S2/c19-8-7(5-3-4(18(21)22)1-2-6(5)12-8)14-15-9(20)13-10-16-17-11(23)24-10/h1-3H,(H,17,23)(H,12,14,19)(H2,13,15,16,20)
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2.15E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221249
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES [O-][N+](=O)c1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H8N6O3S2/c17-8(12-9-14-15-10(20)21-9)13-11-5-6-1-3-7(4-2-6)16(18)19/h1-5H,(H,15,20)(H2,12,13,14,17)
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2.15E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221250
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2ccc(Br)cc2)s1
Show InChI InChI=1S/C10H8BrN5OS2/c11-7-3-1-6(2-4-7)5-12-14-8(17)13-9-15-16-10(18)19-9/h1-5H,(H,16,18)(H2,13,14,15,17)
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2.55E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221252
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES COc1cccc(C=NNC(=O)Nc2nnc(S)s2)c1
Show InChI InChI=1S/C11H11N5O2S2/c1-18-8-4-2-3-7(5-8)6-12-14-9(17)13-10-15-16-11(19)20-10/h2-6H,1H3,(H,16,19)(H2,13,14,15,17)
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2.67E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221269
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C16H13N5OS2/c22-14(17-15-20-21-16(23)24-15)19-18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,23)(H2,17,19,20,22)
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2.83E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221260
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2ccccc2)s1
Show InChI InChI=1S/C10H9N5OS2/c16-8(12-9-14-15-10(17)18-9)13-11-6-7-4-2-1-3-5-7/h1-6H,(H,15,17)(H2,12,13,14,16)
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3.00E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221261
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2ccccc2Cl)s1
Show InChI InChI=1S/C10H8ClN5OS2/c11-7-4-2-1-3-6(7)5-12-14-8(17)13-9-15-16-10(18)19-9/h1-5H,(H,16,18)(H2,13,14,15,17)
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3.28E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221266
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(O)cc1
Show InChI InChI=1S/C11H11N5O2S2/c1-6(7-2-4-8(17)5-3-7)13-14-9(18)12-10-15-16-11(19)20-10/h2-5,17H,1H3,(H,16,19)(H2,12,14,15,18)
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3.34E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221255
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CN(C)c1ccccc1C=NNC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H14N6OS2/c1-18(2)9-6-4-3-5-8(9)7-13-15-10(19)14-11-16-17-12(20)21-11/h3-7H,1-2H3,(H,17,20)(H2,14,15,16,19)
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3.35E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221264
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H10N6O3S2/c1-6(7-2-4-8(5-3-7)17(19)20)13-14-9(18)12-10-15-16-11(21)22-10/h2-5H,1H3,(H,16,21)(H2,12,14,15,18)
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3.54E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221263
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(C)cc1
Show InChI InChI=1S/C12H13N5OS2/c1-7-3-5-9(6-4-7)8(2)14-15-10(18)13-11-16-17-12(19)20-11/h3-6H,1-2H3,(H,17,19)(H2,13,15,16,18)
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3.68E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221267
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccccc1
Show InChI InChI=1S/C11H11N5OS2/c1-7(8-5-3-2-4-6-8)13-14-9(17)12-10-15-16-11(18)19-10/h2-6H,1H3,(H,16,18)(H2,12,14,15,17)
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3.69E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221253
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=C2C(=O)Nc3ccc(Br)cc23)s1
Show InChI InChI=1S/C11H7BrN6O2S2/c12-4-1-2-6-5(3-4)7(8(19)13-6)15-16-9(20)14-10-17-18-11(21)22-10/h1-3H,(H,18,21)(H,13,15,19)(H2,14,16,17,20)
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3.71E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221271
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Fc1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H8FN5OS2/c11-7-3-1-6(2-4-7)5-12-14-8(17)13-9-15-16-10(18)19-9/h1-5H,(H,16,18)(H2,13,14,15,17)
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3.83E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221256
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Oc1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H9N5O2S2/c16-7-3-1-6(2-4-7)5-11-13-8(17)12-9-14-15-10(18)19-9/h1-5,16H,(H,15,18)(H2,12,13,14,17)
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3.83E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221265
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClN5OS2/c1-6(7-2-4-8(12)5-3-7)14-15-9(18)13-10-16-17-11(19)20-10/h2-5H,1H3,(H,17,19)(H2,13,15,16,18)
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3.89E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221248
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES COc1ccc(cc1)C(C)=NNC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C12H13N5O2S2/c1-7(8-3-5-9(19-2)6-4-8)14-15-10(18)13-11-16-17-12(20)21-11/h3-6H,1-2H3,(H,17,20)(H2,13,15,16,18)
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4.31E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221263
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(C)cc1
Show InChI InChI=1S/C12H13N5OS2/c1-7-3-5-9(6-4-7)8(2)14-15-10(18)13-11-16-17-12(19)20-11/h3-6H,1-2H3,(H,17,19)(H2,13,15,16,18)
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4.32E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221269
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C16H13N5OS2/c22-14(17-15-20-21-16(23)24-15)19-18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,23)(H2,17,19,20,22)
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4.34E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221273
PNG
(4-(4,5-dyl)-1-[alpha-(3-pyridyl)methylene]semicarb...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2cccnc2)s1
Show InChI InChI=1S/C9H8N6OS2/c16-7(12-8-14-15-9(17)18-8)13-11-5-6-2-1-3-10-4-6/h1-5H,(H,15,17)(H2,12,13,14,16)
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5.05E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221254
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2ccco2)s1
Show InChI InChI=1S/C8H7N5O2S2/c14-6(10-7-12-13-8(16)17-7)11-9-4-5-2-1-3-15-5/h1-4H,(H,13,16)(H2,10,11,12,14)
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5.75E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221270
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=NNC(=O)Nc3nnc(S)s3)c2c1
Show InChI InChI=1S/C11H7N7O4S2/c19-8-7(5-3-4(18(21)22)1-2-6(5)12-8)14-15-9(20)13-10-16-17-11(23)24-10/h1-3H,(H,17,23)(H,12,14,19)(H2,13,15,16,20)
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5.95E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221272
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(Br)cc1
Show InChI InChI=1S/C11H10BrN5OS2/c1-6(7-2-4-8(12)5-3-7)14-15-9(18)13-10-16-17-11(19)20-10/h2-5H,1H3,(H,17,19)(H2,13,15,16,18)
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6.85E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221274
PNG
(CHEMBL237422 | ethyl N-(5-thioxo-4,5-dihydro-1,3,4...)
Show SMILES NNC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C3H5N5OS2/c4-6-1(9)5-2-7-8-3(10)11-2/h4H2,(H,8,10)(H2,5,6,7,9)
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7.10E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221249
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES [O-][N+](=O)c1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H8N6O3S2/c17-8(12-9-14-15-10(20)21-9)13-11-5-6-1-3-7(4-2-6)16(18)19/h1-5H,(H,15,20)(H2,12,13,14,17)
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7.11E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221252
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES COc1cccc(C=NNC(=O)Nc2nnc(S)s2)c1
Show InChI InChI=1S/C11H11N5O2S2/c1-18-8-4-2-3-7(5-8)6-12-14-9(17)13-10-15-16-11(19)20-10/h2-6H,1H3,(H,16,19)(H2,13,14,15,17)
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7.13E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221256
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Oc1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H9N5O2S2/c16-7-3-1-6(2-4-7)5-11-13-8(17)12-9-14-15-10(18)19-9/h1-5,16H,(H,15,18)(H2,12,13,14,17)
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7.15E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221253
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=C2C(=O)Nc3ccc(Br)cc23)s1
Show InChI InChI=1S/C11H7BrN6O2S2/c12-4-1-2-6-5(3-4)7(8(19)13-6)15-16-9(20)14-10-17-18-11(21)22-10/h1-3H,(H,18,21)(H,13,15,19)(H2,14,16,17,20)
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7.18E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221267
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccccc1
Show InChI InChI=1S/C11H11N5OS2/c1-7(8-5-3-2-4-6-8)13-14-9(17)12-10-15-16-11(18)19-10/h2-6H,1H3,(H,16,18)(H2,12,14,15,17)
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7.44E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221271
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Fc1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H8FN5OS2/c11-7-3-1-6(2-4-7)5-12-14-8(17)13-9-15-16-10(18)19-9/h1-5H,(H,16,18)(H2,13,14,15,17)
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7.53E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221264
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H10N6O3S2/c1-6(7-2-4-8(5-3-7)17(19)20)13-14-9(18)12-10-15-16-11(21)22-10/h2-5H,1H3,(H,16,21)(H2,12,14,15,18)
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7.54E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221275
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=C2C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C11H8N6O2S2/c18-8-7(5-3-1-2-4-6(5)12-8)14-15-9(19)13-10-16-17-11(20)21-10/h1-4H,(H,17,20)(H,12,14,18)(H2,13,15,16,19)
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7.89E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221253
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=C2C(=O)Nc3ccc(Br)cc23)s1
Show InChI InChI=1S/C11H7BrN6O2S2/c12-4-1-2-6-5(3-4)7(8(19)13-6)15-16-9(20)14-10-17-18-11(21)22-10/h1-3H,(H,18,21)(H,13,15,19)(H2,14,16,17,20)
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7.97E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221256
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Oc1ccc(C=NNC(=O)Nc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H9N5O2S2/c16-7-3-1-6(2-4-7)5-11-13-8(17)12-9-14-15-10(18)19-9/h1-5,16H,(H,15,18)(H2,12,13,14,17)
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8.03E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50221275
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES Sc1nnc(NC(=O)NN=C2C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C11H8N6O2S2/c18-8-7(5-3-1-2-4-6(5)12-8)14-15-9(19)13-10-16-17-11(20)21-10/h1-4H,(H,17,20)(H,12,14,18)(H2,13,15,16,19)
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8.36E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221269
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES Sc1nnc(NC(=O)NN=C(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C16H13N5OS2/c22-14(17-15-20-21-16(23)24-15)19-18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,21,23)(H2,17,19,20,22)
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8.43E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221257
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)
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8.53E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221252
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES COc1cccc(C=NNC(=O)Nc2nnc(S)s2)c1
Show InChI InChI=1S/C11H11N5O2S2/c1-18-8-4-2-3-7(5-8)6-12-14-9(17)13-10-15-16-11(19)20-10/h2-6H,1H3,(H,16,19)(H2,13,14,15,17)
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8.54E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221265
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClN5OS2/c1-6(7-2-4-8(12)5-3-7)14-15-9(18)13-10-16-17-11(19)20-10/h2-5H,1H3,(H,17,19)(H2,13,15,16,18)
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8.55E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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8.60E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221264
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-[...)
Show SMILES CC(=NNC(=O)Nc1nnc(S)s1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H10N6O3S2/c1-6(7-2-4-8(5-3-7)17(19)20)13-14-9(18)12-10-15-16-11(21)22-10/h2-5H,1H3,(H,16,21)(H2,12,14,15,18)
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8.62E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50221273
PNG
(4-(4,5-dyl)-1-[alpha-(3-pyridyl)methylene]semicarb...)
Show SMILES Sc1nnc(NC(=O)NN=Cc2cccnc2)s1
Show InChI InChI=1S/C9H8N6OS2/c16-7(12-8-14-15-9(17)18-8)13-11-5-6-2-1-3-10-4-6/h1-5H,(H,15,17)(H2,12,13,14,16)
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8.64E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50221257
PNG
(4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(...)
Show SMILES CC(C)CC=NNC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C8H13N5OS2/c1-5(2)3-4-9-11-6(14)10-7-12-13-8(15)16-7/h4-5H,3H2,1-2H3,(H,13,15)(H2,10,11,12,14)
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8.83E+3n/an/an/an/an/an/an/an/a



Assiut University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method


Bioorg Med Chem 15: 6975-84 (2007)


Article DOI: 10.1016/j.bmc.2007.07.044
BindingDB Entry DOI: 10.7270/Q2P26XV5
More data for this
Ligand-Target Pair
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