Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349111
(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
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)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
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50349116
(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
Similars
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 1.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| MMDB
PDB
Article
PubMed
| 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349114
(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
Similars
| Article
PubMed
| 3.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 3.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 4.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 5.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 6.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 8.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 8.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 9.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 4.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 6.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 7.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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
Similars
| Article
PubMed
| 9.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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