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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Candidapepsin-2' and Ligand = 'BDBM50402357'   
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
Candidapepsin-2


(Candida albicans)		BDBM50402357
PNG
(CHEMBL589301)
Show SMILES O=C([C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2)N1CCCCC1 |r|
Show InChI InChI=1S/C18H22N2O4/c21-17(19-9-5-2-6-10-19)15-16-18(22)20(12-14(23-15)24-16)11-13-7-3-1-4-8-13/h1,3-4,7-8,14-16H,2,5-6,9-12H2/t14-,15-,16-/m1/s1
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PC cid
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Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophotometric analysis

Bioorg Med Chem 20: 7206-13 (2012)


Article DOI: 10.1016/j.bmc.2012.09.031
BindingDB Entry DOI: 10.7270/Q2BP03ZD
More data for this
Ligand-Target Pair