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BDBM50485377 CHEMBL2059638

SMILES: CCc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N

InChI Key: InChIKey=ALMBUVBONGFNIB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1,3-glucan synthase


(Candida albicans)
BDBM50485377
PNG
(CHEMBL2059638)
Show SMILES CCc1cc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)ccc1N
Show InChI InChI=1S/C28H34ClN5O4S/c1-3-21-15-20(7-8-24(21)30)18-39(36,37)33-13-11-32(12-14-33)25-17-31-34(23-6-4-5-22(29)16-23)27(35)26(25)38-19-28(2)9-10-28/h4-8,15-17H,3,9-14,18-19,30H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 314n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 5268-71 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW
More data for this
Ligand-Target Pair