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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50169112'   
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 I


(Plasmodium falciparum)		BDBM50169112
PNG
(CHEMBL371082 | N-[(1S,2S)-3-[(S)-1-((S)-1-Carbamoy...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O
Show InChI InChI=1S/C32H37F3N4O6S/c1-17(2)10-25(30(36)42)38-31(43)18(3)37-28(41)13-27(40)26(39-32(44)29-23(34)11-22(33)12-24(29)35)15-45-14-19-4-6-20(7-5-19)21-8-9-46-16-21/h4-9,11-12,16-18,25-27,40H,10,13-15H2,1-3H3,(H2,36,42)(H,37,41)(H,38,43)(H,39,44)/t18-,25-,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.10n/an/an/an/an/an/an/an/a



Linköping University

Curated by ChEMBL


Assay Description
Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum

J Med Chem 48: 4400-9 (2005)


Article DOI: 10.1021/jm040884n
BindingDB Entry DOI: 10.7270/Q2R78DRQ
More data for this
Ligand-Target Pair