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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50071546'   
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
Plasmepsin II


(Plasmodium falciparum)		BDBM50071546
PNG
(3-Hydroxy-6-methyl-4-{(S)-2-[2-(naphthalen-2-yloxy...)
Show SMILES CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C32H41N3O5/c1-4-5-17-33-29(37)20-28(36)27(18-22(2)3)34-32(39)31(24-12-7-6-8-13-24)35-30(38)21-40-26-16-15-23-11-9-10-14-25(23)19-26/h6-16,19,22,27-28,31,36H,4-5,17-18,20-21H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t27?,28?,31-/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars
PubMed
 5.80E+3n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.

Bioorg Med Chem Lett 8: 2315-20 (1999)


BindingDB Entry DOI: 10.7270/Q2SN09G9
More data for this
Ligand-Target Pair