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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 = 'BDBM50483453'   
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)		BDBM50483453
PNG
(CHEMBL1684894)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(N)c2)c(=O)c1OC1CCCC1
Show InChI InChI=1S/C22H31N5O4S/c1-16(2)32(29,30)26-12-10-25(11-13-26)20-15-24-27(18-7-5-6-17(23)14-18)22(28)21(20)31-19-8-3-4-9-19/h5-7,14-16,19H,3-4,8-13,23H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.11E+3n/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