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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 = 'BDBM50485327'   
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)		BDBM50485327
PNG
(CHEMBL2046736)
Show SMILES Cc1nc2ccc(CNS(=O)(=O)N3CCN(CC3)C(\C=N)=C(/OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)cc2s1
Show InChI InChI=1S/C28H33ClN6O4S2/c1-19-32-23-7-6-20(14-25(23)40-19)17-31-41(37,38)35-12-10-34(11-13-35)24(16-30)26(39-18-28(2)8-9-28)27(36)33-22-5-3-4-21(29)15-22/h3-7,14-16,30-31H,8-13,17-18H2,1-2H3,(H,33,36)/b26-24-,30-16?
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97.2n/an/an/an/an/an/a



Albany Molecular Research, Inc. (AMRI)

Curated by ChEMBL


Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane

Bioorg Med Chem Lett 22: 4896-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424
More data for this
Ligand-Target Pair