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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 = 'BDBM50483466'   
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)		BDBM50483466
PNG
(CHEMBL1684885)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(C2CCCCC2)c(=O)c1OC1CCCC1
Show InChI InChI=1S/C22H36N4O4S/c1-17(2)31(28,29)25-14-12-24(13-15-25)20-16-23-26(18-8-4-3-5-9-18)22(27)21(20)30-19-10-6-7-11-19/h16-19H,3-15H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.94E+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