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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 = 'BDBM50485364'   
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)		BDBM50485364
PNG
(CHEMBL2059474)
Show SMILES FCC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1
Show InChI InChI=1S/C26H28ClFN4O4S/c27-21-7-4-8-22(15-21)32-25(33)24(36-19-26(18-28)9-10-26)23(16-29-32)30-11-13-31(14-12-30)37(34,35)17-20-5-2-1-3-6-20/h1-8,15-16H,9-14,17-19H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54.8n/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