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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8027'   
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)		BDBM8027
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(4-methy...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc(C)cc1)C(N)=O |r|
Show InChI InChI=1S/C37H43N5O4/c1-24(2)34(42-36(45)30-11-7-8-20-39-30)37(46)41-31(21-26-9-5-4-6-10-26)33(43)23-40-32(35(38)44)22-27-14-18-29(19-15-27)28-16-12-25(3)13-17-28/h4-20,24,31-34,40,43H,21-23H2,1-3H3,(H2,38,44)(H,41,46)(H,42,45)/t31-,32-,33-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 115n/an/an/an/an/an/an/an/a



Uppsala 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 46: 734-46 (2003)


Article DOI: 10.1021/jm020951i
BindingDB Entry DOI: 10.7270/Q2N29V56
More data for this
Ligand-Target Pair