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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50169102'   
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)		BDBM50169102
PNG
(CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O
Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.30n/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