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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50098102'   
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))
BDBM50098102
PNG
(CHEMBL23350 | Sulfamic acid 4-chloro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
PDB
MMDB

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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 46: 2197-204 (2003)


Article DOI: 10.1021/jm021124k
BindingDB Entry DOI: 10.7270/Q28P617T
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50098102
PNG
(CHEMBL23350 | Sulfamic acid 4-chloro-phenyl ester)
Show SMILES NS(=O)(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/a7.5n/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5


Bioorg Med Chem 19: 1172-8 (2011)


Article DOI: 10.1016/j.bmc.2010.12.048
BindingDB Entry DOI: 10.7270/Q2C53M44
More data for this
Ligand-Target Pair