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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase 2 (Can2)' and Ligand = 'BDBM50339602'   
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 (Can2)


(Cryptococcus neoformans var. grubii (Filobasidiell...)
BDBM50339602
PNG
(2-(3-chloro-4-hydroxyphenyl)-N-(2-methoxyethyl)ace...)
Show SMILES COCCNC(=O)Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C11H14ClNO3/c1-16-5-4-13-11(15)7-8-2-3-10(14)9(12)6-8/h2-3,6,14H,4-5,7H2,1H3,(H,13,15)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
950n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay


J Med Chem 54: 1682-92 (2011)


Article DOI: 10.1021/jm1013242
More data for this
Ligand-Target Pair