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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50406439'   
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))
BDBM50406439
PNG
(CHEMBL104311)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)cc1
Show InChI InChI=1S/C9H13NO3S2/c10-15(12,13)9-4-2-8(3-5-9)14-7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,12,13)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair