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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 = 'BDBM50483801'   
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))		BDBM50483801
PNG
(CHEMBL1770508)
Show SMILES Clc1cccc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(OC2CCCC2)c1=O
Show InChI InChI=1S/C29H29ClN4O4S/c30-23-8-5-9-24(19-23)34-29(35)28(38-25-10-3-4-11-25)27(20-31-34)32-14-16-33(17-15-32)39(36,37)26-13-12-21-6-1-2-7-22(21)18-26/h1-2,5-9,12-13,18-20,25H,3-4,10-11,14-17H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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