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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-D-glucan synthase catalytic subunit' and Ligand = 'BDBM50483460'   
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
1,3-beta-D-glucan synthase catalytic subunit


(Candida albicans)
BDBM50483460
PNG
(CHEMBL1684887)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2nccs2)c(=O)c1OC1CCCC1
Show InChI InChI=1S/C19H27N5O4S2/c1-14(2)30(26,27)23-10-8-22(9-11-23)16-13-21-24(19-20-7-12-29-19)18(25)17(16)28-15-5-3-4-6-15/h7,12-15H,3-6,8-11H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase


Bioorg Med Chem Lett 21: 1819-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.058
BindingDB Entry DOI: 10.7270/Q2P55RCG
More data for this
Ligand-Target Pair