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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Candidapepsin-2' and Ligand = 'BDBM50402349'   
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)		BDBM50402349
PNG
(CHEMBL2206677)
Show SMILES COC(=O)[C@@H](CC(C)C)N1C[C@H]2O[C@@H]([C@H](O2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C18H28N2O6/c1-11(2)9-12(18(23)24-3)20-10-13-25-14(15(26-13)17(20)22)16(21)19-7-5-4-6-8-19/h11-15H,4-10H2,1-3H3/t12-,13+,14+,15+/m1/s1
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Similars
Article
PubMed
n/an/a 740n/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