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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 = 'BDBM50485332'   
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)		BDBM50485332
PNG
(CHEMBL2046735)
Show SMILES COc1ccc(CNS(=O)(=O)N2CCN(CC2)C(\C=N)=C(/OCC2(C)CC2)C(=O)Nc2cccc(Cl)c2)cc1OC
Show InChI InChI=1S/C28H36ClN5O6S/c1-28(9-10-28)19-40-26(27(35)32-22-6-4-5-21(29)16-22)23(17-30)33-11-13-34(14-12-33)41(36,37)31-18-20-7-8-24(38-2)25(15-20)39-3/h4-8,15-17,30-31H,9-14,18-19H2,1-3H3,(H,32,35)/b26-23-,30-17?
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 296n/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