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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8104'   
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)		BDBM8104
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-1-carbamoyl-2-[4-(3-aceta...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)C(N)=O |r|
Show InChI InChI=1S/C38H44N6O5/c1-24(2)35(44-37(48)31-14-7-8-19-40-31)38(49)43-32(20-26-10-5-4-6-11-26)34(46)23-41-33(36(39)47)21-27-15-17-28(18-16-27)29-12-9-13-30(22-29)42-25(3)45/h4-19,22,24,32-35,41,46H,20-21,23H2,1-3H3,(H2,39,47)(H,42,45)(H,43,49)(H,44,48)/t32-,33-,34-,35-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 99n/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 Comb Chem 5: 456-64 (2003)


Article DOI: 10.1021/cc0301014
BindingDB Entry DOI: 10.7270/Q27S7KZZ
More data for this
Ligand-Target Pair