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BDBM50485373 CHEMBL2059489

SMILES: Nc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1

InChI Key: InChIKey=BKILYBVWSDSMCK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485373   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1,3-glucan synthase


(Candida albicans)
BDBM50485373
PNG
(CHEMBL2059489)
Show SMILES Nc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1
Show InChI InChI=1S/C26H29F2N5O4S/c27-19-13-20(28)15-22(14-19)33-26(34)25(37-23-6-1-2-7-23)24(16-30-33)31-8-10-32(11-9-31)38(35,36)17-18-4-3-5-21(29)12-18/h3-5,12-16,23H,1-2,6-11,17,29H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 128n/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