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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 = 'BDBM50485328'   
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)		BDBM50485328
PNG
(CHEMBL2046602)
Show SMILES Clc1cccc(NC(=O)C(\OC2CCCC2)=C(/C=N)N2CCN(CC2)S(=O)(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C25H30ClN5O4S/c26-19-7-6-10-21(17-19)28-25(32)24(35-22-11-4-5-12-22)23(18-27)30-13-15-31(16-14-30)36(33,34)29-20-8-2-1-3-9-20/h1-3,6-10,17-18,22,27,29H,4-5,11-16H2,(H,28,32)/b24-23-,27-18?
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 116n/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