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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM7976'   
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)		BDBM7976
PNG
((3S,4S)-5-(benzyloxy)-N-[(1S)-1-{[(1S)-1-carbamoyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
Show InChI InChI=1S/C32H46N6O7/c1-19(2)15-24(29(33)41)36-30(42)21(5)35-27(40)16-26(39)25(18-45-17-22-11-7-6-8-12-22)37-32(44)28(20(3)4)38-31(43)23-13-9-10-14-34-23/h6-14,19-21,24-26,28,39H,15-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,42)(H,37,44)(H,38,43)/t21-,24-,25-,26-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.40n/an/an/an/an/an/an/an/a



Linkoping University



Assay Description
Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...

J Med Chem 47: 3353-66 (2004)


Article DOI: 10.1021/jm031106i
BindingDB Entry DOI: 10.7270/Q2WM1BMG
More data for this
Ligand-Target Pair