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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50029872   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288900
PNG
((2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-a...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C15H19N5O8S/c16-29(27,28)10-3-1-9(2-4-10)15(26)20-7-13(23)18-5-11(21)17-6-12(22)19-8-14(24)25/h1-4H,5-8H2,(H,17,21)(H,18,23)(H,19,22)(H,20,26)(H,24,25)(H2,16,27,28)
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n/an/an/an/an/an/a 2.50E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288892
PNG
(2-(4-Sulfamoyl-benzoylamino)-hexanoic acid | CHEMB...)
Show SMILES CCCCC(NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H18N2O5S/c1-2-3-4-11(13(17)18)15-12(16)9-5-7-10(8-6-9)21(14,19)20/h5-8,11H,2-4H2,1H3,(H,15,16)(H,17,18)(H2,14,19,20)
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n/an/an/an/an/an/a 0.0220n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288910
PNG
(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
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n/an/an/a 96n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288878
PNG
(3-(4-Chloro-phenyl)-2-(4-sulfamoyl-benzoylamino)-p...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H2,18,23,24)
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n/an/an/a 14n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288870
PNG
(2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1
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n/an/an/an/an/a 0.0930n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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n/an/an/an/an/an/a 3.61E+7n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288856
PNG
(3-(4-Amino-phenyl)-2-(4-sulfamoyl-benzoylamino)-pr...)
Show SMILES Nc1ccc(CC(NC(=O)c2ccc(cc2)S(N)(=O)=O)C(O)=O)cc1
Show InChI InChI=1S/C16H17N3O5S/c17-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)11-3-7-13(8-4-11)25(18,23)24/h1-8,14H,9,17H2,(H,19,20)(H,21,22)(H2,18,23,24)
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n/an/an/a 64n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288857
PNG
(3-(4-Chloro-phenyl)-2-[2-(4-sulfamoyl-benzoylamino...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H18ClN3O6S/c19-13-5-1-11(2-6-13)9-15(18(25)26)22-16(23)10-21-17(24)12-3-7-14(8-4-12)29(20,27)28/h1-8,15H,9-10H2,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288858
PNG
(3-Methyl-2-{2-[2-(4-sulfamoyl-benzoylamino)-acetyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H24N4O7S/c1-3-10(2)15(17(25)26)21-14(23)9-19-13(22)8-20-16(24)11-4-6-12(7-5-11)29(18,27)28/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t10-,15-/m0/s1
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n/an/an/a 230n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288859
PNG
(4-Methylsulfanyl-2-(2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H22N4O7S2/c1-28-7-6-12(16(24)25)20-14(22)9-18-13(21)8-19-15(23)10-2-4-11(5-3-10)29(17,26)27/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)/t12-/m1/s1
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n/an/an/a 160n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288860
PNG
(4-Carbamoyl-2-{2-[2-(4-sulfamoyl-benzoylamino)-ace...)
Show SMILES NC(=O)CC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H21N5O8S/c17-12(22)6-5-11(16(26)27)21-14(24)8-19-13(23)7-20-15(25)9-1-3-10(4-2-9)30(18,28)29/h1-4,11H,5-8H2,(H2,17,22)(H,19,23)(H,20,25)(H,21,24)(H,26,27)(H2,18,28,29)/t11-/m0/s1
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n/an/an/a 270n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288861
PNG
(3,3-Dimethyl-2-{2-[2-(4-sulfamoyl-benzoylamino)-ac...)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H22N4O7S/c1-9(2)14(16(24)25)20-13(22)8-18-12(21)7-19-15(23)10-3-5-11(6-4-10)28(17,26)27/h3-6,9,14H,7-8H2,1-2H3,(H,18,21)(H,19,23)(H,20,22)(H,24,25)(H2,17,26,27)/t14-/m0/s1
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n/an/an/a 260n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288862
PNG
(4-Methylsulfanyl-2-[2-(4-sulfamoyl-benzoylamino)-a...)
Show SMILES CSCCC(NC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C14H19N3O6S2/c1-24-7-6-11(14(20)21)17-12(18)8-16-13(19)9-2-4-10(5-3-9)25(15,22)23/h2-5,11H,6-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)(H2,15,22,23)
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n/an/an/a 160n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288863
PNG
(3-Hydroxy-2-{2-[2-(4-sulfamoyl-benzoylamino)-acety...)
Show SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H23N5O9S/c1-9(23)15(17(28)29)22-14(26)8-20-12(24)6-19-13(25)7-21-16(27)10-2-4-11(5-3-10)32(18,30)31/h2-5,9,15,23H,6-8H2,1H3,(H,19,25)(H,20,24)(H,21,27)(H,22,26)(H,28,29)(H2,18,30,31)/t9-,15+/m1/s1
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n/an/an/a 330n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288864
PNG
(3-Phenyl-2-[2-(4-sulfamoyl-benzoylamino)-acetylami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H19N3O6S/c19-28(26,27)14-8-6-13(7-9-14)17(23)20-11-16(22)21-15(18(24)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,20,23)(H,21,22)(H,24,25)(H2,19,26,27)
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n/an/an/a 140n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288865
PNG
(2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-penta...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C14H17N3O8S/c15-26(24,25)9-3-1-8(2-4-9)13(21)16-7-11(18)17-10(14(22)23)5-6-12(19)20/h1-4,10H,5-7H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H2,15,24,25)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288866
PNG
(3-Naphthalen-2-yl-2-[2-(4-sulfamoyl-benzoylamino)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H21N3O6S/c23-32(30,31)18-9-7-16(8-10-18)21(27)24-13-20(26)25-19(22(28)29)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,19H,12-13H2,(H,24,27)(H,25,26)(H,28,29)(H2,23,30,31)
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n/an/an/a 130n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288867
PNG
(2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-succi...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(CC(O)=O)C(O)=O
Show InChI InChI=1S/C13H15N3O8S/c14-25(23,24)8-3-1-7(2-4-8)12(20)15-6-10(17)16-9(13(21)22)5-11(18)19/h1-4,9H,5-6H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,14,23,24)
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n/an/an/a 420n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288868
PNG
(5-Guanidino-2-(2-{2-[2-(4-sulfamoyl-benzoylamino)-...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H25N7O7S/c18-17(19)21-7-1-2-12(16(28)29)24-14(26)9-22-13(25)8-23-15(27)10-3-5-11(6-4-10)32(20,30)31/h3-6,12H,1-2,7-9H2,(H,22,25)(H,23,27)(H,24,26)(H,28,29)(H4,18,19,21)(H2,20,30,31)/t12-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288869
PNG
(2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H23N5O10S/c19-34(32,33)11-3-1-10(2-4-11)17(29)22-8-14(25)20-7-13(24)21-9-15(26)23-12(18(30)31)5-6-16(27)28/h1-4,12H,5-9H2,(H,20,25)(H,21,24)(H,22,29)(H,23,26)(H,27,28)(H,30,31)(H2,19,32,33)/t12-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288871
PNG
(3-Methyl-2-{2-[2-(4-sulfamoyl-benzoylamino)-acetyl...)
Show SMILES CC(C)(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H24N4O7S/c1-17(2,3)14(16(25)26)21-13(23)9-19-12(22)8-20-15(24)10-4-6-11(7-5-10)29(18,27)28/h4-7,14H,8-9H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288872
PNG
(3-(4-Nitro-phenyl)-2-[2-(4-sulfamoyl-benzoylamino)...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C18H18N4O8S/c19-31(29,30)14-7-3-12(4-8-14)17(24)20-10-16(23)21-15(18(25)26)9-11-1-5-13(6-2-11)22(27)28/h1-8,15H,9-10H2,(H,20,24)(H,21,23)(H,25,26)(H2,19,29,30)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101337
PNG
((S)-4-Methyl-2-(4-sulfamoyl-benzoylamino)-pentanoi...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H18N2O5S/c1-8(2)7-11(13(17)18)15-12(16)9-3-5-10(6-4-9)21(14,19)20/h3-6,8,11H,7H2,1-2H3,(H,15,16)(H,17,18)(H2,14,19,20)/t11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288873
PNG
(1-(4-Sulfamoyl-benzoyl)-pyrrolidine-2-carboxylic a...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C12H14N2O5S/c13-20(18,19)9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)(H2,13,18,19)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288874
PNG
(3-(4-Fluoro-phenyl)-2-[2-(4-sulfamoyl-benzoylamino...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C18H18FN3O6S/c19-13-5-1-11(2-6-13)9-15(18(25)26)22-16(23)10-21-17(24)12-3-7-14(8-4-12)29(20,27)28/h1-8,15H,9-10H2,(H,21,24)(H,22,23)(H,25,26)(H2,20,27,28)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101379
PNG
((S)-4-Carbamoyl-2-(4-sulfamoyl-benzoylamino)-butyr...)
Show SMILES NC(=O)CC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C12H15N3O6S/c13-10(16)6-5-9(12(18)19)15-11(17)7-1-3-8(4-2-7)22(14,20)21/h1-4,9H,5-6H2,(H2,13,16)(H,15,17)(H,18,19)(H2,14,20,21)/t9-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288875
PNG
(3-Naphthalen-2-yl-2-(4-sulfamoyl-benzoylamino)-pro...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NC(Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C20H18N2O5S/c21-28(26,27)17-9-7-15(8-10-17)19(23)22-18(20(24)25)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-11,18H,12H2,(H,22,23)(H,24,25)(H2,21,26,27)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288876
PNG
(3-Naphthalen-2-yl-2-(2-{2-[2-(4-sulfamoyl-benzoyla...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C26H27N5O8S/c27-40(38,39)20-9-7-18(8-10-20)25(35)30-14-23(33)28-13-22(32)29-15-24(34)31-21(26(36)37)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,21H,12-15H2,(H,28,33)(H,29,32)(H,30,35)(H,31,34)(H,36,37)(H2,27,38,39)/t21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288877
PNG
(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H24N4O7S/c1-2-3-4-13(17(25)26)21-15(23)10-19-14(22)9-20-16(24)11-5-7-12(8-6-11)29(18,27)28/h5-8,13H,2-4,9-10H2,1H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t13-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101373
PNG
((S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C12H14N2O7S/c13-22(20,21)8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t9-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288879
PNG
(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H20N4O9S/c17-30(28,29)10-3-1-9(2-4-10)15(25)19-7-12(21)18-8-13(22)20-11(16(26)27)5-6-14(23)24/h1-4,11H,5-8H2,(H,18,21)(H,19,25)(H,20,22)(H,23,24)(H,26,27)(H2,17,28,29)/t11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288881
PNG
(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...)
Show SMILES NC(=O)C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C15H19N5O8S/c16-11(21)5-10(15(25)26)20-13(23)7-18-12(22)6-19-14(24)8-1-3-9(4-2-8)29(17,27)28/h1-4,10H,5-7H2,(H2,16,21)(H,18,22)(H,19,24)(H,20,23)(H,25,26)(H2,17,27,28)/t10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288882
PNG
(3,3-Dimethyl-2-(2-{2-[2-(4-sulfamoyl-benzoylamino)...)
Show SMILES CC(C)(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H27N5O8S/c1-19(2,3)16(18(29)30)24-15(27)10-22-13(25)8-21-14(26)9-23-17(28)11-4-6-12(7-5-11)33(20,31)32/h4-7,16H,8-10H2,1-3H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288883
PNG
(5-Guanidino-2-{2-[2-(4-sulfamoyl-benzoylamino)-ace...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H28N8O8S/c20-19(21)23-7-1-2-13(18(32)33)27-16(30)10-25-14(28)8-24-15(29)9-26-17(31)11-3-5-12(6-4-11)36(22,34)35/h3-6,13H,1-2,7-10H2,(H,24,29)(H,25,28)(H,26,31)(H,27,30)(H,32,33)(H4,20,21,23)(H2,22,34,35)/t13-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288884
PNG
(3-(4-Nitro-phenyl)-2-(2-{2-[2-(4-sulfamoyl-benzoyl...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O |r|
Show InChI InChI=1S/C22H24N6O10S/c23-39(37,38)16-7-3-14(4-8-16)21(32)26-11-19(30)24-10-18(29)25-12-20(31)27-17(22(33)34)9-13-1-5-15(6-2-13)28(35)36/h1-8,17H,9-12H2,(H,24,30)(H,25,29)(H,26,32)(H,27,31)(H,33,34)(H2,23,37,38)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288885
PNG
(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...)
Show SMILES C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H21N5O8S/c1-9(16(26)27)21-14(24)8-19-12(22)6-18-13(23)7-20-15(25)10-2-4-11(5-3-10)30(17,28)29/h2-5,9H,6-8H2,1H3,(H,18,23)(H,19,22)(H,20,25)(H,21,24)(H,26,27)(H2,17,28,29)/t9-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288886
PNG
(4-Methyl-2-(2-{2-[2-(4-sulfamoyl-benzoylamino)-ace...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C17H24N4O7S/c1-10(2)7-13(17(25)26)21-15(23)9-19-14(22)8-20-16(24)11-3-5-12(6-4-11)29(18,27)28/h3-6,10,13H,7-9H2,1-2H3,(H,19,22)(H,20,24)(H,21,23)(H,25,26)(H2,18,27,28)/t13-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288887
PNG
(2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-propi...)
Show SMILES C[C@H](NC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C12H15N3O6S/c1-7(12(18)19)15-10(16)6-14-11(17)8-2-4-9(5-3-8)22(13,20)21/h2-5,7H,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t7-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288888
PNG
(3-(4-Methoxy-phenyl)-2-{2-[2-(4-sulfamoyl-benzoyla...)
Show SMILES COc1ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)c2ccc(cc2)S(N)(=O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H24N4O8S/c1-33-15-6-2-13(3-7-15)10-17(21(29)30)25-19(27)12-23-18(26)11-24-20(28)14-4-8-16(9-5-14)34(22,31)32/h2-9,17H,10-12H2,1H3,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t17-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288889
PNG
(3-Hydroxy-2-{2-[2-(4-sulfamoyl-benzoylamino)-acety...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1S/C16H21N5O9S/c17-31(29,30)10-3-1-9(2-4-10)15(26)20-6-13(24)18-5-12(23)19-7-14(25)21-11(8-22)16(27)28/h1-4,11,22H,5-8H2,(H,18,24)(H,19,23)(H,20,26)(H,21,25)(H,27,28)(H2,17,29,30)/t11-/m0/s1
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n/an/an/a 360n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288890
PNG
(3-Methyl-2-[2-(4-sulfamoyl-benzoylamino)-acetylami...)
Show SMILES CCC(C)C(NC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C15H21N3O6S/c1-3-9(2)13(15(21)22)18-12(19)8-17-14(20)10-4-6-11(7-5-10)25(16,23)24/h4-7,9,13H,3,8H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)(H2,16,23,24)
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n/an/an/a 160n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288891
PNG
(3-Methyl-2-(2-{2-[2-(4-sulfamoyl-benzoylamino)-ace...)
Show SMILES CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H25N5O8S/c1-10(2)16(18(28)29)23-15(26)9-21-13(24)7-20-14(25)8-22-17(27)11-3-5-12(6-4-11)32(19,30)31/h3-6,10,16H,7-9H2,1-2H3,(H,20,25)(H,21,24)(H,22,27)(H,23,26)(H,28,29)(H2,19,30,31)/t16-/m0/s1
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n/an/an/a 290n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101355
PNG
((S)-4-Methylsulfanyl-2-(4-sulfamoyl-benzoylamino)-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O5S2/c1-20-7-6-10(12(16)17)14-11(15)8-2-4-9(5-3-8)21(13,18)19/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288893
PNG
(2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-succi...)
Show SMILES NC(=O)CC(NC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C13H16N4O7S/c14-10(18)5-9(13(21)22)17-11(19)6-16-12(20)7-1-3-8(4-2-7)25(15,23)24/h1-4,9H,5-6H2,(H2,14,18)(H,16,20)(H,17,19)(H,21,22)(H2,15,23,24)
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n/an/an/a 290n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288894
PNG
(1-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-ac...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H23N5O8S/c19-32(30,31)12-5-3-11(4-6-12)17(27)22-9-15(25)20-8-14(24)21-10-16(26)23-7-1-2-13(23)18(28)29/h3-6,13H,1-2,7-10H2,(H,20,25)(H,21,24)(H,22,27)(H,28,29)(H2,19,30,31)/t13-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288895
PNG
(4-Methylsulfanyl-2-{2-[2-(4-sulfamoyl-benzoylamino...)
Show SMILES CSCC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H25N5O8S2/c1-32-7-6-13(18(28)29)23-16(26)10-21-14(24)8-20-15(25)9-22-17(27)11-2-4-12(5-3-11)33(19,30)31/h2-5,13H,6-10H2,1H3,(H,20,25)(H,21,24)(H,22,27)(H,23,26)(H,28,29)(H2,19,30,31)/t13-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288896
PNG
(3-Hydroxy-2-[2-(4-sulfamoyl-benzoylamino)-acetylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NC(CO)C(O)=O
Show InChI InChI=1S/C12H15N3O7S/c13-23(21,22)8-3-1-7(2-4-8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101351
PNG
((S)-3-Methyl-2-(4-sulfamoyl-benzoylamino)-butyric ...)
Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C12H16N2O5S/c1-7(2)10(12(16)17)14-11(15)8-3-5-9(6-4-8)20(13,18)19/h3-7,10H,1-2H3,(H,14,15)(H,16,17)(H2,13,18,19)/t10-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288897
PNG
(1-[2-(4-Sulfamoyl-benzoylamino)-acetyl]-pyrrolidin...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C14H17N3O6S/c15-24(22,23)10-5-3-9(4-6-10)13(19)16-8-12(18)17-7-1-2-11(17)14(20)21/h3-6,11H,1-2,7-8H2,(H,16,19)(H,20,21)(H2,15,22,23)
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TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288898
PNG
(3-(4-Fluoro-phenyl)-2-(2-{2-[2-(4-sulfamoyl-benzoy...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H21FN4O7S/c21-14-5-1-12(2-6-14)9-16(20(29)30)25-18(27)11-23-17(26)10-24-19(28)13-3-7-15(8-4-13)33(22,31)32/h1-8,16H,9-11H2,(H,23,26)(H,24,28)(H,25,27)(H,29,30)(H2,22,31,32)/t16-/m0/s1
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n/an/an/a 120n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)


Article DOI: 10.1016/0960-894X(96)00069-8
BindingDB Entry DOI: 10.7270/Q2V124SF
More data for this
Ligand-Target Pair
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