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10 similar compounds to monomer 12022

Compile data set for download or QSAR
Wt: 308.3
BDBM12015
Wt: 326.3
BDBM12016
Purchase
Wt: 326.3
BDBM12017
Wt: 326.3
BDBM12018
Wt: 326.3
BDBM12019
Wt: 344.3
BDBM12020
Wt: 344.3
BDBM12021
Wt: 380.2
BDBM12023
Purchase
Wt: 380.2
BDBM50094414
Wt: 362.2
BDBM50144823

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 12015,12016,12017,12018,12019,12020,12021,12023,50094414,50144823   
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 9


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094414
PNG
(2,3,4,5,6-Pentafluoro-N-(4-sulfamoyl-benzyl)-benza...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)14(22)21-5-6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase II (CA2)


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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120n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50094414
PNG
(2,3,4,5,6-Pentafluoro-N-(4-sulfamoyl-benzyl)-benza...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)14(22)21-5-6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
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350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50144823
PNG
(2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzami...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)cc(F)c2F)cc1
Show InChI InChI=1S/C14H10F4N2O3S/c15-9-5-10(16)13(18)11(12(9)17)14(21)20-6-7-1-3-8(4-2-7)24(19,22)23/h1-5H,6H2,(H,20,21)(H2,19,22,23)
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980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase I (hCAI)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50094414
PNG
(2,3,4,5,6-Pentafluoro-N-(4-sulfamoyl-benzyl)-benza...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)14(22)21-5-6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
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980n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase I (CA1)


J Med Chem 43: 4542-51 (2000)


Article DOI: 10.1021/jm000296j
BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12020
PNG
(2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
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n/an/an/a 2.30n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)


Article DOI: 10.1021/jm00039a023
BindingDB Entry DOI: 10.7270/Q2TX3DDV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12023
PNG
(2,3,4,5,6-pentafluoro-SBB | 4-(AMINOSULFONYL)-N-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
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n/an/an/a 2n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12021
PNG
(2,4,6-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,4,6-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-9-5-12(16)11(13(17)6-9)7-19-14(20)8-1-3-10(4-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
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n/an/an/a 3.90n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12020
PNG
(2,3,4-trifluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3,4-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
Show InChI InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
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n/an/an/a 3.80n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12019
PNG
(2,6-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,6-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cccc1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 3.90n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12018
PNG
(2,5-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,5-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-11-3-6-13(16)10(7-11)8-18-14(19)9-1-4-12(5-2-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 2.20n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12017
PNG
(2,4-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,4-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-11-4-1-10(13(16)7-11)8-18-14(19)9-2-5-12(6-3-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 3.30n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12015
PNG
(4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZA...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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n/an/an/a 3.30n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase II Mutant (F131V)


(Homo sapiens (Human))
BDBM12016
PNG
(2,3-difluoro-SBB | 4-(AMINOSULFONYL)-N-[(2,3-DIFLU...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1F
Show InChI InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
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n/an/an/a 1.60n/an/an/a7.437



University of Pennsylvania



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


J Am Chem Soc 123: 9620-7 (2001)


BindingDB Entry DOI: 10.7270/Q2QZ286J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)