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Compile Data Set for Download or QSAR

Found 892 hits with Last Name = 'cecchi' 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
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



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
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 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



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
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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0.5n/an/an/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50155547
PNG
(5-(4-{3-[1,2-Dihydroxy-2-(4-nitro-phenyl)-ethyl]-t...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=[SH+])[N-]C(O)C(O)c3ccc(cc3)[N+]([O-])=O)cc2)s1
Show InChI InChI=1S/C17H17N7O8S4/c18-35(29,30)17-22-21-16(34-17)23-36(31,32)12-7-3-10(4-8-12)19-15(33)20-14(26)13(25)9-1-5-11(6-2-9)24(27)28/h1-8,13-14,25-26H,(H5,18,19,20,21,23,29,30,33)
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0.600n/an/an/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50155547
PNG
(5-(4-{3-[1,2-Dihydroxy-2-(4-nitro-phenyl)-ethyl]-t...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=[SH+])[N-]C(O)C(O)c3ccc(cc3)[N+]([O-])=O)cc2)s1
Show InChI InChI=1S/C17H17N7O8S4/c18-35(29,30)17-22-21-16(34-17)23-36(31,32)12-7-3-10(4-8-12)19-15(33)20-14(26)13(25)9-1-5-11(6-2-9)24(27)28/h1-8,13-14,25-26H,(H5,18,19,20,21,23,29,30,33)
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


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 1


(Homo sapiens (Human))
BDBM50155545
PNG
(5-{4-[3-(4-Methyl-piperazin-1-yl)-thioureido]-benz...)
Show SMILES CN1CCN(CC1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N8O4S4/c1-21-6-8-22(9-7-21)19-12(27)16-10-2-4-11(5-3-10)30(25,26)20-13-17-18-14(28-13)29(15,23)24/h2-5H,6-9H2,1H3,(H,17,20)(H2,15,23,24)(H2,16,19,27)
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


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 2


(Homo sapiens (Human))
BDBM50155546
PNG
(CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)
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0.600n/an/an/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50155542
PNG
(5-{4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzen...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N7O4S4/c1-20(2)8-7-15-11(25)16-9-3-5-10(6-4-9)28(23,24)19-12-17-18-13(26-12)27(14,21)22/h3-6H,7-8H2,1-2H3,(H,17,19)(H2,14,21,22)(H2,15,16,25)
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0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


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 1


(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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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


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 2


(Homo sapiens (Human))
BDBM50155545
PNG
(5-{4-[3-(4-Methyl-piperazin-1-yl)-thioureido]-benz...)
Show SMILES CN1CCN(CC1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N8O4S4/c1-21-6-8-22(9-7-21)19-12(27)16-10-2-4-11(5-3-10)30(25,26)20-13-17-18-14(28-13)29(15,23)24/h2-5H,6-9H2,1H3,(H,17,20)(H2,15,23,24)(H2,16,19,27)
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0.700n/an/an/an/an/an/an/an/a



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 1


(Homo sapiens (Human))
BDBM50155546
PNG
(CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


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 2


(Homo sapiens (Human))
BDBM50155548
PNG
(5-{4-[3-(2-Morpholin-4-yl-ethyl)-thioureido]-benze...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)s1
Show InChI InChI=1S/C15H21N7O5S4/c16-30(23,24)15-20-19-14(29-15)21-31(25,26)12-3-1-11(2-4-12)18-13(28)17-5-6-22-7-9-27-10-8-22/h1-4H,5-10H2,(H,19,21)(H2,16,23,24)(H2,17,18,28)
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0.800n/an/an/an/an/an/an/an/a



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))
BDBM50144819
PNG
(2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzami...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
Show InChI InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)12(17)10(11(8)16)13(20)19-6-2-1-3-7(4-6)23(18,21)22/h1-5H,(H,19,20)(H2,18,21,22)
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0.800n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50155542
PNG
(5-{4-[3-(2-Dimethylamino-ethyl)-thioureido]-benzen...)
Show SMILES CN(C)CCNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H19N7O4S4/c1-20(2)8-7-15-11(25)16-9-3-5-10(6-4-9)28(23,24)19-12-17-18-13(26-12)27(14,21)22/h3-6H,7-8H2,1-2H3,(H,17,19)(H2,14,21,22)(H2,15,16,25)
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0.900n/an/an/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50155541
PNG
(Aminobenzolamide derivative | CHEMBL435094)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCCN3CCN(CCCNC(=S)Nc4ccc(cc4)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)CC3)cc2)s1
Show InChI InChI=1S/C28H38N14O8S8/c29-55(43,44)27-37-35-25(53-27)39-57(47,48)21-7-3-19(4-8-21)33-23(51)31-11-1-13-41-15-17-42(18-16-41)14-2-12-32-24(52)34-20-5-9-22(10-6-20)58(49,50)40-26-36-38-28(54-26)56(30,45)46/h3-10H,1-2,11-18H2,(H,35,39)(H,36,40)(H2,29,43,44)(H2,30,45,46)(H2,31,33,51)(H2,32,34,52)
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0.900n/an/an/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM50155540
PNG
(5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benze...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1
Show InChI InChI=1S/C15H22N8O4S4/c16-30(24,25)15-21-20-14(29-15)22-31(26,27)12-3-1-11(2-4-12)19-13(28)18-7-10-23-8-5-17-6-9-23/h1-4,17H,5-10H2,(H,20,22)(H2,16,24,25)(H2,18,19,28)
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0.900n/an/an/an/an/an/an/an/a



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 2


(Homo sapiens (Human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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Article
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0.900n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50155544
PNG
(5-[4-(3-Morpholin-4-yl-thioureido)-benzenesulfonyl...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NN3CCOCC3)cc2)s1
Show InChI InChI=1S/C13H17N7O5S4/c14-28(21,22)13-17-16-12(27-13)19-29(23,24)10-3-1-9(2-4-10)15-11(26)18-20-5-7-25-8-6-20/h1-4H,5-8H2,(H,16,19)(H2,14,21,22)(H2,15,18,26)
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0.900n/an/an/an/an/an/an/an/a



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 12


(Homo sapiens (Human))
BDBM50387125
PNG
(4-ureidophenyl sulfamate ring derivative 3j | CHEM...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H8F5N3O4S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25-26(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
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1n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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1n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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1.20n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA II


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50344562
PNG
(2-(diethylamino)ethyl 4-(N-(5-sulfamoyl-1,3,4-thia...)
Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C15H21N5O6S3/c1-3-20(4-2)9-10-26-13(21)11-5-7-12(8-6-11)29(24,25)19-14-17-18-15(27-14)28(16,22)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,22,23)
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1.40n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50155539
PNG
(5-(4-Isothiocyanato-benzenesulfonylamino)-[1,3,4]t...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)N=C=S)s1
Show InChI InChI=1S/C9H7N5O4S4/c10-21(15,16)9-13-12-8(20-9)14-22(17,18)7-3-1-6(2-4-7)11-5-19/h1-4H,(H,12,14)(H2,10,15,16)
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1.70n/an/an/an/an/an/an/an/a



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
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387139
PNG
(CHEMBL2047819)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C13H11F2N3O4S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
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2n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387161
PNG
(4-ureidophenyl sulfamate ring derivative 3aw | CHE...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C17H26N4O6S/c1-17(2,3)26-16(23)21-10-8-13(9-11-21)20-15(22)19-12-4-6-14(7-5-12)27-28(18,24)25/h4-7,13H,8-11H2,1-3H3,(H2,18,24,25)(H2,19,20,22)
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2n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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2n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387131
PNG
(4-ureidophenyl sulfamate ring derivative 3p | CHEM...)
Show SMILES Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
Show InChI InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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2n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



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
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50098106
PNG
(CHEMBL24259 | PHENYLSULFAMATE | Sulfamic acid phen...)
Show SMILES NS(=O)(=O)Oc1ccccc1
Show InChI InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic isozyme CA I


Bioorg Med Chem Lett 15: 5192-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.102
BindingDB Entry DOI: 10.7270/Q20002VN
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM25899
PNG
(7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4...)
Show SMILES CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
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2.10n/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 7


(Homo sapiens (Human))
BDBM25900
PNG
(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindo...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12
Show InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
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2.80n/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 12


(Homo sapiens (Human))
BDBM50387160
PNG
(4-ureidophenyl sulfamate ring derivative 3ay | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccs2)cc1
Show InChI InChI=1S/C13H15N3O4S2/c14-22(18,19)20-11-5-3-10(4-6-11)16-13(17)15-8-7-12-2-1-9-21-12/h1-6,9H,7-8H2,(H2,14,18,19)(H2,15,16,17)
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3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387155
PNG
(4-ureidophenyl sulfamate ring derivative 3as | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C15H15N3O5S/c16-24(20,21)23-13-4-1-11(2-5-13)17-15(19)18-12-3-6-14-10(9-12)7-8-22-14/h1-6,9H,7-8H2,(H2,16,20,21)(H2,17,18,19)
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3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387117
PNG
(4-ureidophenyl sulfamate ring derivative 3g | CHEM...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C14H15N3O5S/c1-21-12-6-2-10(3-7-12)16-14(18)17-11-4-8-13(9-5-11)22-23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
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3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387130
PNG
(4-ureidophenyl sulfamate ring derivative 3o | CHEM...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1
Show InChI InChI=1S/C13H10F3N3O4S/c14-9-5-6-10(12(16)11(9)15)19-13(20)18-7-1-3-8(4-2-7)23-24(17,21)22/h1-6H,(H2,17,21,22)(H2,18,19,20)
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3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50160672
PNG
(4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...)
Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)
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3n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50155540
PNG
(5-{4-[3-(2-Piperazin-1-yl-ethyl)-thioureido]-benze...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NCCN3CCNCC3)cc2)s1
Show InChI InChI=1S/C15H22N8O4S4/c16-30(24,25)15-21-20-14(29-15)22-31(26,27)12-3-1-11(2-4-12)19-13(28)18-7-10-23-8-5-17-6-9-23/h1-4,17H,5-10H2,(H,20,22)(H2,16,24,25)(H2,18,19,28)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase IX


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 2


(Homo sapiens (Human))
BDBM50167370
PNG
(CHEMBL189729 | N-(5-Sulfamoyl-[1,3,4]thiadiazol-2-...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C15H19BN4O5S2/c1-14(2)15(3,4)25-16(24-14)10-7-5-9(6-8-10)11(21)18-12-19-20-13(26-12)27(17,22)23/h5-8H,1-4H3,(H2,17,22,23)(H,18,19,21)
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3.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human recombinant carbonic anhydrase II


Bioorg Med Chem Lett 15: 3302-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.058
BindingDB Entry DOI: 10.7270/Q2C828V2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50165759
PNG
(4-{4-[2-(1,4-oxazinan-4-yl)ethylamino(thioxo)methy...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)NCCN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C20H27N5O5S3/c21-32(26,27)18-5-1-16(2-6-18)15-23-33(28,29)19-7-3-17(4-8-19)24-20(31)22-9-10-25-11-13-30-14-12-25/h1-8,23H,9-15H2,(H2,21,26,27)(H2,22,24,31)
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3.10n/an/an/an/an/an/an/an/a



Ospedale San Lazzaro

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2359-64 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.087
BindingDB Entry DOI: 10.7270/Q2ZC82CW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50155545
PNG
(5-{4-[3-(4-Methyl-piperazin-1-yl)-thioureido]-benz...)
Show SMILES CN1CCN(CC1)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N8O4S4/c1-21-6-8-22(9-7-21)19-12(27)16-10-2-4-11(5-3-10)30(25,26)20-13-17-18-14(28-13)29(15,23)24/h2-5H,6-9H2,1H3,(H,17,20)(H2,15,23,24)(H2,16,19,27)
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3.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase IX


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))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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3.40n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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3.40n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM11034
PNG
(1-pentafluorophenylamido-5-sulfonamidoindane | 2,3...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-9-4-1-6-5-7(27(22,25)26)2-3-8(6)9/h2-3,5,9H,1,4H2,(H,23,24)(H2,22,25,26)
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3.5n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50094370
PNG
(CHEMBL22821 | Sulfonamide, 5)
Show SMILES CCNC1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8?/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Egyptian Petroleum Research Institute



Assay Description
Inhibition assay using carbonic anhydrases.


J Enzyme Inhib Med Chem 24: 499-505 (2009)


Article DOI: 10.1080/14756360802218441
BindingDB Entry DOI: 10.7270/Q24748GC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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3.5n/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
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