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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50072543'   
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)		BDBM50072543
PNG
((3S,4S)-4-(2-{1-[4-Amino-3-(4-chloro-phenyl)-butyr...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC1CN(Cc2ccc(cc2)-c2ccccc2)CCN1C(=O)CC(CN)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H54ClN5O4/c1-2-3-22-47-42(52)28-41(51)40(25-32-10-6-4-7-11-32)48-43(53)27-39-31-49(30-33-14-16-35(17-15-33)34-12-8-5-9-13-34)23-24-50(39)44(54)26-37(29-46)36-18-20-38(45)21-19-36/h4-21,37,39-41,51H,2-3,22-31,46H2,1H3,(H,47,52)(H,48,53)/t37?,39?,40-,41-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
 490n/an/an/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against plasmepsin II

Bioorg Med Chem Lett 8: 3203-6 (1999)


BindingDB Entry DOI: 10.7270/Q2D21WSG
More data for this
Ligand-Target Pair