BindingDB logo
myBDB logout

PubMed code 17376683

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
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 7


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
12n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
25n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
41n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
41n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
62n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
63n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
63n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
74n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
82n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
134n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
250n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
250n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
540n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
630n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
670n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
710n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
750n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
800n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
850n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
850n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
940n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+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 recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+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 recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.32E+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 recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.46E+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 recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.59E+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 recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.35E+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 recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.50E+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 recombinant CA14 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.50E+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 recombinant CA9 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
4.90E+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 recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.40E+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 recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.07E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208755
PNG
(1-(2-chloro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4Cl)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26ClN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50208753
PNG
(1-(2-fluoro-4-{[(4-sulfamoylphenyl)methyl]sulfamoy...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)NCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C26H33FN4O9S3/c1-24(2)37-20-13-36-26(22(21(20)38-24)39-25(3,4)40-26)14-29-23(41)31-19-10-9-17(11-18(19)27)43(34,35)30-12-15-5-7-16(8-6-15)42(28,32)33/h5-11,20-22,30H,12-14H2,1-4H3,(H2,28,32,33)(H2,29,31,41)/t20-,21-,22+,26+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208752
PNG
(1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.07E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208749
PNG
(1-[2-(4-sulfamoylphenyl)ethyl]-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)NCCc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H31N3O7S2/c1-19(2)28-15-11-27-21(17(16(15)29-19)30-20(3,4)31-21)12-24-18(32)23-10-9-13-5-7-14(8-6-13)33(22,25)26/h5-8,15-17H,9-12H2,1-4H3,(H2,22,25,26)(H2,23,24,32)/t15-,16-,17+,21+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.98E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50208754
PNG
(1-(4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-5-7-12(8-6-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.30E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208751
PNG
(1-(2-fluoro-4-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C19H26FN3O7S2/c1-17(2)27-13-8-26-19(15(14(13)28-17)29-18(3,4)30-19)9-22-16(31)23-12-6-5-10(7-11(12)20)32(21,24)25/h5-7,13-15H,8-9H2,1-4H3,(H2,21,24,25)(H2,22,23,31)/t13-,14-,15+,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.37E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50208750
PNG
(1-{2-fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4ccc(cc4F)S(=O)(=O)Nc4nnc(s4)S(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C21H27FN6O9S4/c1-19(2)34-13-8-33-21(15(14(13)35-19)36-20(3,4)37-21)9-24-16(38)25-12-6-5-10(7-11(12)22)41(31,32)28-17-26-27-18(39-17)40(23,29)30/h5-7,13-15H,8-9H2,1-4H3,(H,26,28)(H2,23,29,30)(H2,24,25,38)/t13-,14-,15+,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.93E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 after 15 mins by CO2 hydration stopped flow assay


Bioorg Med Chem Lett 17: 2685-91 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.008
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%