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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase' and Ligand = 'BDBM50483792'   
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-glucan synthase


(Candida albicans (Yeast))
BDBM50483792
PNG
(CHEMBL1770513)
Show SMILES Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)C2Cc3ccccc3C2)c(OC2CCCC2)c1=O
Show InChI InChI=1S/C28H31ClN4O4S/c29-22-8-5-9-23(18-22)33-28(34)27(37-24-10-3-4-11-24)26(19-30-33)31-12-14-32(15-13-31)38(35,36)25-16-20-6-1-2-7-21(20)17-25/h1-2,5-9,18-19,24-25H,3-4,10-17H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 522n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 2890-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.083
BindingDB Entry DOI: 10.7270/Q2SQ937S
More data for this
Ligand-Target Pair