BindingDB logo
myBDB logout

PubMed code 18990571

Compile data set for download or QSAR
Found 65 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 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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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
35n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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
56n/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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
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 truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256516
PNG
(CHEMBL443769 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccc(cc1)-c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
102n/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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256568
PNG
(CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...)
Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
103n/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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256516
PNG
(CHEMBL443769 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccc(cc1)-c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
820n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256515
PNG
(CHEMBL475776 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)s...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
870n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256513
PNG
(CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...)
Show SMILES CSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
920n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256568
PNG
(CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...)
Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256510
PNG
(CHEMBL500977 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)su...)
Show SMILES CCc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
950n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256509
PNG
(CHEMBL449527 | N-1,3,4-thiadiazol-2-ylsulfamide)
Show SMILES NS(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C2H4N4O2S2/c3-10(7,8)6-2-5-4-1-9-2/h1H,(H,5,6)(H2,3,7,8)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
970n/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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256512
PNG
(CHEMBL499560 | N-[5-(trifluoromethyl)-1,3,4-thiadi...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.08E+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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256514
PNG
(CHEMBL451538 | N-[5-(ethylthio)-1,3,4-thiadiazol-2...)
Show SMILES CCSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S3/c1-2-11-4-7-6-3(12-4)8-13(5,9)10/h2H2,1H3,(H,6,8)(H2,5,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.13E+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 cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256516
PNG
(CHEMBL443769 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccc(cc1)-c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256515
PNG
(CHEMBL475776 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)s...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.66E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256514
PNG
(CHEMBL451538 | N-[5-(ethylthio)-1,3,4-thiadiazol-2...)
Show SMILES CCSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S3/c1-2-11-4-7-6-3(12-4)8-13(5,9)10/h2H2,1H3,(H,6,8)(H2,5,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.89E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256513
PNG
(CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...)
Show SMILES CSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256568
PNG
(CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...)
Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256513
PNG
(CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...)
Show SMILES CSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256512
PNG
(CHEMBL499560 | N-[5-(trifluoromethyl)-1,3,4-thiadi...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256512
PNG
(CHEMBL499560 | N-[5-(trifluoromethyl)-1,3,4-thiadi...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.32E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

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 full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
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 truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256515
PNG
(CHEMBL475776 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)s...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.54E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.54E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.85E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256568
PNG
(CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...)
Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256512
PNG
(CHEMBL499560 | N-[5-(trifluoromethyl)-1,3,4-thiadi...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.86E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256510
PNG
(CHEMBL500977 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)su...)
Show SMILES CCc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.01E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256512
PNG
(CHEMBL499560 | N-[5-(trifluoromethyl)-1,3,4-thiadi...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)C(F)(F)F
Show InChI InChI=1S/C3H3F3N4O2S2/c4-3(5,6)1-8-9-2(13-1)10-14(7,11)12/h(H,9,10)(H2,7,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256509
PNG
(CHEMBL449527 | N-1,3,4-thiadiazol-2-ylsulfamide)
Show SMILES NS(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C2H4N4O2S2/c3-10(7,8)6-2-5-4-1-9-2/h1H,(H,5,6)(H2,3,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.42E+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 cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256515
PNG
(CHEMBL475776 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)s...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256514
PNG
(CHEMBL451538 | N-[5-(ethylthio)-1,3,4-thiadiazol-2...)
Show SMILES CCSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S3/c1-2-11-4-7-6-3(12-4)8-13(5,9)10/h2H2,1H3,(H,6,8)(H2,5,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.58E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256516
PNG
(CHEMBL443769 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccc(cc1)-c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256513
PNG
(CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...)
Show SMILES CSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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
8.59E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256510
PNG
(CHEMBL500977 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)su...)
Show SMILES CCc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.64E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256568
PNG
(CHEMBL482150 | N-[5-(methylsulfonyl)-1,3,4-thiadia...)
Show SMILES CS(=O)(=O)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O4S3/c1-13(8,9)3-6-5-2(12-3)7-14(4,10)11/h1H3,(H,5,7)(H2,4,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.70E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256516
PNG
(CHEMBL443769 | N-[5-(4-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccc(cc1)-c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C9H10N4O3S2/c1-16-7-4-2-6(3-5-7)8-11-12-9(17-8)13-18(10,14)15/h2-5H,1H3,(H,12,13)(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.76E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256509
PNG
(CHEMBL449527 | N-1,3,4-thiadiazol-2-ylsulfamide)
Show SMILES NS(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C2H4N4O2S2/c3-10(7,8)6-2-5-4-1-9-2/h1H,(H,5,6)(H2,3,7,8)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.91E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256515
PNG
(CHEMBL475776 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)s...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C8H8N4O2S2/c9-16(13,14)12-8-11-10-7(15-8)6-4-2-1-3-5-6/h1-5H,(H,11,12)(H2,9,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.20E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256514
PNG
(CHEMBL451538 | N-[5-(ethylthio)-1,3,4-thiadiazol-2...)
Show SMILES CCSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S3/c1-2-11-4-7-6-3(12-4)8-13(5,9)10/h2H2,1H3,(H,6,8)(H2,5,9,10)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.30E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50256567
PNG
(CHEMBL482149 | N-[5-(4-bromophenyl)-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)Nc1nnc(s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C8H7BrN4O2S2/c9-6-3-1-5(2-4-6)7-11-12-8(16-7)13-17(10,14)15/h1-4H,(H,12,13)(H2,10,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.01E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256511
PNG
(CHEMBL475775 | N-(5-tert-butyl-1,3,4-thiadiazol-2-...)
Show SMILES CC(C)(C)c1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C6H12N4O2S2/c1-6(2,3)4-8-9-5(13-4)10-14(7,11)12/h1-3H3,(H,9,10)(H2,7,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.04E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256510
PNG
(CHEMBL500977 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)su...)
Show SMILES CCc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.87E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256514
PNG
(CHEMBL451538 | N-[5-(ethylthio)-1,3,4-thiadiazol-2...)
Show SMILES CCSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S3/c1-2-11-4-7-6-3(12-4)8-13(5,9)10/h2H2,1H3,(H,6,8)(H2,5,9,10)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.31E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256509
PNG
(CHEMBL449527 | N-1,3,4-thiadiazol-2-ylsulfamide)
Show SMILES NS(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C2H4N4O2S2/c3-10(7,8)6-2-5-4-1-9-2/h1H,(H,5,6)(H2,3,7,8)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.83E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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
3.00E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50256513
PNG
(CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...)
Show SMILES CSc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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
5.40E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
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
6.30E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
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
6.30E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256510
PNG
(CHEMBL500977 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)su...)
Show SMILES CCc1nnc(NS(N)(=O)=O)s1
Show InChI InChI=1S/C4H8N4O2S2/c1-2-3-6-7-4(11-3)8-12(5,9)10/h2H2,1H3,(H,7,8)(H2,5,9,10)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50256509
PNG
(CHEMBL449527 | N-1,3,4-thiadiazol-2-ylsulfamide)
Show SMILES NS(=O)(=O)Nc1nncs1
Show InChI InChI=1S/C2H4N4O2S2/c3-10(7,8)6-2-5-4-1-9-2/h1H,(H,5,6)(H2,3,7,8)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.40E+4n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
6.03E+6n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 18: 6332-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.093
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%