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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Candidapepsin-2' and Ligand = 'BDBM50402348'   
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)		BDBM50402348
PNG
(CHEMBL2206678)
Show SMILES CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CCN([C@H](Cc2ccccc2)C1=O)C(=O)N1CCN(C)CC1)C(C)C |r|
Show InChI InChI=1S/C42H70N6O5/c1-6-8-20-36(40(51)44-35(28-32-16-12-10-13-17-32)38(49)30-34(31(3)4)39(50)43-21-9-7-2)47-26-27-48(42(53)46-24-22-45(5)23-25-46)37(41(47)52)29-33-18-14-11-15-19-33/h11,14-15,18-19,31-32,34-38,49H,6-10,12-13,16-17,20-30H2,1-5H3,(H,43,50)(H,44,51)/t34-,35+,36+,37-,38+/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 12n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of candida albicans SAP2

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