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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 = 'BDBM50485322'   
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)		BDBM50485322
PNG
(CHEMBL2046739)
Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C27H31ClN6O4S2/c1-27(9-10-27)18-38-25(26(35)31-20-6-4-5-19(28)15-20)22(16-29)33-11-13-34(14-12-33)40(36,37)30-17-24-32-21-7-2-3-8-23(21)39-24/h2-8,15-16,29-30H,9-14,17-18H2,1H3,(H,31,35)/b25-22-,29-16?
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 397n/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