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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8101'   
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)		BDBM8101
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(2H-1,3-benzodioxol-...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r|
Show InChI InChI=1S/C37H41N5O6/c1-23(2)34(42-36(45)28-10-6-7-17-39-28)37(46)41-29(18-24-8-4-3-5-9-24)31(43)21-40-30(35(38)44)19-25-11-13-26(14-12-25)27-15-16-32-33(20-27)48-22-47-32/h3-17,20,23,29-31,34,40,43H,18-19,21-22H2,1-2H3,(H2,38,44)(H,41,46)(H,42,45)/t29-,30-,31-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 23n/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