new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'bravo' and Initial = 'r'   
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 12


(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
3.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/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
5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
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
5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/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
5.30n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/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
7.20n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/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
7.70n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/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



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/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
13n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/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
16n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
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
58n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
PDB
MMDB

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



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
PDB
MMDB

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



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
85n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
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



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/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
830n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/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
830n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/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
940n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/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
1.79E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
1.88E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.97E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
2.14E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/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
3.14E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.45E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/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
3.71E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
4.58E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.68E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.44E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/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
6.47E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.23E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/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
8.64E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/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
9.53E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/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
9.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.12E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.23E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.85E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/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
>5.00E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/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
6.58E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/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
7.54E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/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
9.19E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
BindingDB Entry DOI: 10.7270/Q2M9091G
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50158348
PNG
((2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihy...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O |r|
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50316769
PNG
((Z,Z)-5-[3-Chloro-4-((2R)-2,3-dihydroxy-propoxy)-b...)
Show SMILES CCC\N=C1/S\C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C |r|
Show InChI InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting


J Med Chem 53: 4198-211 (2010)


Article DOI: 10.1021/jm100181s
BindingDB Entry DOI: 10.7270/Q2513ZBQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 222 total )  |  Next  |  Last  >>
Jump to: