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Compile Data Set for Download or QSAR

Found 17794 hits with Last Name = 'scozzafava' and Initial = 'a'   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50088118
PNG
(2-(N-(4-nitrobenzyl)-2,3,4,5,6-pentafluorophenylsu...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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0.100n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease-8


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11354
PNG
(Hydroxamate 35 | N-Pentafluorophenylsulfonyl-N-4-n...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C15H10F5N3O6S/c16-10-11(17)13(19)15(14(20)12(10)18)30(28,29)22(6-9(24)21-25)5-7-1-3-8(4-2-7)23(26)27/h1-4,25H,5-6H2,(H,21,24)
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0.100n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153970
PNG
(4-(4,6-Diethoxy-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES CCOc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C13H17N5O4S/c1-3-21-12-16-11(17-13(18-12)22-4-2)15-9-5-7-10(8-6-9)23(14,19)20/h5-8H,3-4H2,1-2H3,(H2,14,19,20)(H,15,16,17,18)
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0.120n/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 expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
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0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
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0.150n/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 expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094456
PNG
(6-Pentafluorobenzenesulfonylamino-benzothiazole-2-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C13H6F5N3O4S3/c14-7-8(15)10(17)12(11(18)9(7)16)28(24,25)21-4-1-2-5-6(3-4)26-13(20-5)27(19,22)23/h1-3,21H,(H2,19,22,23)
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0.200n/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)


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


(Homo sapiens (Human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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0.200 -54.4n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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0.200n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.200n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14723
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C23H24N5O4S3/c1-3-18-14-17(16-8-6-5-7-9-16)15-19(4-2)28(18)20-10-12-21(13-11-20)35(31,32)27-22-25-26-23(33-22)34(24,29)30/h5-15H,3-4H2,1-2H3,(H,25,27)(H2,24,29,30)/q+1
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0.210n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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0.230n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14718
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1
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0.260n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.300n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 4376-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.082
BindingDB Entry DOI: 10.7270/Q2C24XCB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094393
PNG
(4-Methyl-5-pentafluorobenzenesulfonylimino-4,5-dih...)
Show SMILES Cn1nc(sc1=NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H5F5N4O4S3/c1-18-8(23-9(16-18)24(15,19)20)17-25(21,22)7-5(13)3(11)2(10)4(12)6(7)14/h1H3,(H2,15,19,20)
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0.300n/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)


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


(Homo sapiens (Human))
BDBM50094347
PNG
(5-(perfluorophenylsulfonamido)-1,3,4-thiadiazole-2...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C8H3F5N4O4S3/c9-1-2(10)4(12)6(5(13)3(1)11)24(20,21)17-7-15-16-8(22-7)23(14,18)19/h(H,15,17)(H2,14,18,19)
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0.300n/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)


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


(Homo sapiens (Human))
BDBM50094441
PNG
(2,3,4,5,6-Pentafluoro-benzenesulfonic acid 2-sulfa...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C13H5F5N2O5S3/c14-7-8(15)10(17)12(11(18)9(7)16)28(23,24)25-4-1-2-5-6(3-4)26-13(20-5)27(19,21)22/h1-3H,(H2,19,21,22)
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0.300n/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)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 963-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.053
BindingDB Entry DOI: 10.7270/Q29887RZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14736
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C17H20N5O4S3/c1-10-9-11(2)22(13(4)12(10)3)14-5-7-15(8-6-14)29(25,26)21-16-19-20-17(27-16)28(18,23)24/h5-9H,1-4H3,(H,19,21)(H2,18,23,24)/q+1
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0.300n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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Article
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0.300n/an/an/an/an/an/a7.5n/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5


Bioorg Med Chem 19: 1172-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.048
BindingDB Entry DOI: 10.7270/Q2C53M44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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0.300n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.300n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11627
PNG
(β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...)
Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.300n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11360
PNG
(Hydroxamate 41 | N-hydroxy-2-{[(4-nitrophenyl)meth...)
Show SMILES CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
Show InChI InChI=1S/C16H12F5N3O6S/c1-7(16(25)22-26)23(6-8-2-4-9(5-3-8)24(27)28)31(29,30)15-13(20)11(18)10(17)12(19)14(15)21/h2-5,7,26H,6H2,1H3,(H,22,25)
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0.300n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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0.300n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibitory constant against catalytic domain of human carbonic anhydrase XII


Bioorg Med Chem Lett 15: 3828-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.055
BindingDB Entry DOI: 10.7270/Q2C82B2K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM11028
PNG
(1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...)
Show SMILES CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16)
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0.320n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50153964
PNG
(4-((4,6-diethoxy-1,3,5-triazin-2-ylamino)methyl)be...)
Show SMILES CCOc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(OCC)n1
Show InChI InChI=1S/C14H19N5O4S/c1-3-22-13-17-12(18-14(19-13)23-4-2)16-9-10-5-7-11(8-6-10)24(15,20)21/h5-8H,3-4,9H2,1-2H3,(H2,15,20,21)(H,16,17,18,19)
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0.340n/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 expressed in Escherichia coli BL21


Bioorg Med Chem Lett 14: 5427-33 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.087
BindingDB Entry DOI: 10.7270/Q2XD12DQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50153971
PNG
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)
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0.350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155554
PNG
(5-Chloro-2-methoxy-N-(5-sulfamoyl-indan-2-yl)-benz...)
Show SMILES COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H17ClN2O4S/c1-24-16-5-3-12(18)9-15(16)17(21)20-13-6-10-2-4-14(25(19,22)23)8-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,19,22,23)
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0.360n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM14719
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES CC(C)c1cc(C)cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H22N5O4S3/c1-11(2)16-10-12(3)9-13(4)23(16)14-5-7-15(8-6-14)30(26,27)22-17-20-21-18(28-17)29(19,24)25/h5-11H,1-4H3,(H,20,22)(H2,19,24,25)/q+1
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0.390n/an/an/an/an/an/an/an/a



Canadian Institutes of Health Research



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 2337-47 (2004)


Article DOI: 10.1021/jm031079w
BindingDB Entry DOI: 10.7270/Q2DV1H4B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155556
PNG
(2,3-dihydro-1H-indene-5-sulfonamide | CHEMBL364869...)
Show SMILES NS(=O)(=O)c1ccc2CCCc2c1
Show InChI InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
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0.390n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094324
PNG
(3-Pentafluorobenzenesulfonylamino-N-(5-sulfamoyl-[...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1
Show InChI InChI=1S/C11H8F5N5O5S3/c12-4-5(13)7(15)9(8(16)6(4)14)29(25,26)18-2-1-3(22)19-10-20-21-11(27-10)28(17,23)24/h18H,1-2H2,(H2,17,23,24)(H,19,20,22)
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0.400n/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)


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


(Homo sapiens (Human))
BDBM50219176
PNG
(CHEMBL2111218)
Show SMILES [Zn++].Cn1nc(s\c1=N\C(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)\N=c1/sc(nn1C)S(N)(=O)=O)CC([O-])=O)CC(O)=O)S(N)(=O)=O
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0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor delta 1 of (endomorphin 2) in mouse vas deferens was determined


Bioorg Med Chem Lett 11: 575-82 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50097289
PNG
(((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-...)
Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7|
Show InChI InChI=1S/C20H31N11O12S4/c1-27-17(44-19(25-27)46(21,40)41)23-12(32)7-30(10-15(36)37)5-3-29(9-14(34)35)4-6-31(11-16(38)39)8-13(33)24-18-28(2)26-20(45-18)47(22,42)43/h3-11H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H2,21,40,41)(H2,22,42,43)
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0.400n/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


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230195
PNG
(CHEMBL4100903)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1
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0.440n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL




J Med Chem 60: 1159-1170 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50155552
PNG
(4-Chloro-N-(5-sulfamoyl-indan-2-yl)-benzamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN2O3S/c17-13-4-1-10(2-5-13)16(20)19-14-7-11-3-6-15(23(18,21)22)9-12(11)8-14/h1-6,9,14H,7-8H2,(H,19,20)(H2,18,21,22)
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0.440n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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0.450n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Ki value against human carbonic anhydrase VII


Bioorg Med Chem Lett 15: 971-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.052
BindingDB Entry DOI: 10.7270/Q25H7H1N
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50155550
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-ben...)
Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)cc(F)c1F
Show InChI InChI=1S/C16H12F4N2O3S/c17-11-6-12(18)15(20)13(14(11)19)16(23)22-9-3-7-1-2-10(26(21,24)25)5-8(7)4-9/h1-2,5-6,9H,3-4H2,(H,22,23)(H2,21,24,25)
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0.470n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094323
PNG
(6-(Nonafluorobutane-1-sulfonylamino)-benzothiazole...)
Show SMILES NS(=O)(=O)c1nc2ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1
Show InChI InChI=1S/C11H6F9N3O4S3/c12-8(13,10(16,17)18)9(14,15)11(19,20)30(26,27)23-4-1-2-5-6(3-4)28-7(22-5)29(21,24)25/h1-3,23H,(H2,21,24,25)
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0.5n/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)


BindingDB Entry DOI: 10.7270/Q2BV7HBP
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease-8


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094403
PNG
(2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C14H6F5N3O3S2/c15-8-7(9(16)11(18)12(19)10(8)17)13(23)21-4-1-2-5-6(3-4)26-14(22-5)27(20,24)25/h1-3H,(H,21,23)(H2,20,24,25)
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0.5n/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)


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


(Homo sapiens (Human))
BDBM50094346
PNG
(1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic aci...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1
Show InChI InChI=1S/C11H5F9N2O5S3/c12-8(13,10(16,17)18)9(14,15)11(19,20)30(25,26)27-4-1-2-5-6(3-4)28-7(22-5)29(21,23)24/h1-3H,(H2,21,23,24)
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0.5n/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)


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


(Homo sapiens (Human))
BDBM50292100
PNG
(CHEMBL284354 | {{2-[2-(2-{Carboxymethyl-[(2-sulfam...)
Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C28H34N8O12S4/c29-51(43,44)27-33-19-3-1-17(11-21(19)49-27)31-23(37)13-35(15-25(39)40)5-7-47-9-10-48-8-6-36(16-26(41)42)14-24(38)32-18-2-4-20-22(12-18)50-28(34-20)52(30,45)46/h1-4,11-12H,5-10,13-16H2,(H,31,37)(H,32,38)(H,39,40)(H,41,42)(H2,29,43,44)(H2,30,45,46)
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094452
PNG
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-...)
Show SMILES NS(=O)(=O)c1nc2ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1
Show InChI InChI=1S/C15H5F17N2O5S3/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)42(37,38)39-4-1-2-5-6(3-4)40-7(34-5)41(33,35)36/h1-3H,(H2,33,35,36)
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0.5n/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)


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


(Homo sapiens (Human))
BDBM50292154
PNG
(((2-{2-[2-(Carboxymethyl-{[2-(5-sulfamoyl-[1,3,4]t...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C24H38N12O14S4/c25-53(45,46)23-33-31-21(51-23)29-15(37)1-3-27-17(39)11-35(13-19(41)42)5-7-49-9-10-50-8-6-36(14-20(43)44)12-18(40)28-4-2-16(38)30-22-32-34-24(52-22)54(26,47)48/h1-14H2,(H,27,39)(H,28,40)(H,41,42)(H,43,44)(H2,25,45,46)(H2,26,47,48)(H,29,31,37)(H,30,32,38)
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50094326
PNG
(2,3,4,5,6-Pentafluoro-benzenesulfonic acid 2-(2-su...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1
Show InChI InChI=1S/C15H9F5N2O6S3/c16-9-10(17)12(19)14(13(20)11(9)18)31(25,26)28-4-3-27-6-1-2-7-8(5-6)29-15(22-7)30(21,23)24/h1-2,5H,3-4H2,(H2,21,23,24)
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0.5n/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)


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


(Homo sapiens (Human))
BDBM50155543
PNG
(5-{4-[3-(2-Fluoro-phenyl)-thioureido]-benzenesulfo...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3F)cc2)s1
Show InChI InChI=1S/C15H13FN6O4S4/c16-11-3-1-2-4-12(11)19-13(27)18-9-5-7-10(8-6-9)30(25,26)22-14-20-21-15(28-14)29(17,23)24/h1-8H,(H,20,22)(H2,17,23,24)(H2,18,19,27)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5775-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.062
BindingDB Entry DOI: 10.7270/Q2154HT4
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50334361
PNG
(4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide ...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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0.5n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50088778
PNG
(CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...)
Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+
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Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 10: 1117-20 (2000)


BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50087247
PNG
(5-{4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino...)
Show SMILES Cn1nc(s\c1=N/S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H16ClN5O6S3/c1-25-18(32-19(23-25)33(21,27)28)24-34(29,30)14-5-3-13(4-6-14)22-10-11-8-17(26)31-16-9-12(20)2-7-15(11)16/h2-9,22H,10H2,1H3,(H2,21,27,28)/b24-18-
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Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase II


Bioorg Med Chem Lett 10: 673-6 (2000)


BindingDB Entry DOI: 10.7270/Q2RV0P61
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50114184
PNG
((R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C26H36N4O6S2/c1-13(4-7-21(34)28-23-29-30-24(37-23)38(27,35)36)16-5-6-17-22-18(12-20(33)26(16,17)3)25(2)9-8-15(31)10-14(25)11-19(22)32/h13-14,16-18,22H,4-12H2,1-3H3,(H2,27,35,36)(H,28,29,34)/t13-,14+,16-,17+,18+,22+,25+,26-/m1/s1
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


Bioorg Med Chem Lett 12: 1551-7 (2002)


BindingDB Entry DOI: 10.7270/Q2B56K7W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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