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PDB code 3S8X

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50380157
PNG
(CHEMBL2010988)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H13N3O4S2/c1-8-6-12(18)16-13(15-8)21-7-11(17)9-2-4-10(5-3-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)
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PC cid
PC sid
PDB
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Similars

Article
PubMed
n/an/an/a 70n/an/an/an/an/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
3D Structure (docked)
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50380157
PNG
(CHEMBL2010988)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C13H13N3O4S2/c1-8-6-12(18)16-13(15-8)21-7-11(17)9-2-4-10(5-3-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 50n/an/an/an/an/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
3D Structure (docked)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output