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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-glucan synthase' and Ligand = 'BDBM50483799'   
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-glucan synthase


(Candida albicans (Yeast))		BDBM50483799
PNG
(CHEMBL1770498)
Show SMILES CCOCCOc1cc(ccc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S/c1-2-32-19-20-33-27-21-25(24-11-7-4-8-12-24)13-14-26(27)28-15-17-29(18-16-28)34(30,31)22-23-9-5-3-6-10-23/h3-14,21H,2,15-20,22H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.87E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 21: 2890-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.083
BindingDB Entry DOI: 10.7270/Q2SQ937S
More data for this
Ligand-Target Pair