Found 3 hits 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 2
(260/260 = 100%)†
(Homo sapiens (Human)) | BDBM50380152
(CHEMBL2010999)Show SMILES CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay |
Eur J Med Chem 51: 259-70 (2012)
Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase 2
(260/260 = 100%)†
(Homo sapiens (Human)) | BDBM50380152
(CHEMBL2010999)Show SMILES CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 21: 6937-47 (2013)
Article DOI: 10.1016/j.bmc.2013.09.029
BindingDB Entry DOI: 10.7270/Q2S46VZ9 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(260/260 = 100%)†
(Homo sapiens (Human)) | BDBM50380152
(CHEMBL2010999)Show SMILES CCc1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)nc1 Show InChI InChI=1S/C14H14ClN3O3S2/c1-2-9-6-17-14(18-7-9)22-8-12(19)10-3-4-11(15)13(5-10)23(16,20)21/h3-7H,2,8H2,1H3,(H2,16,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay |
Eur J Med Chem 51: 259-70 (2012)
Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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