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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM8115'   
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)		BDBM8115
PNG
((2S)-N-[(2S,3S)-4-{[(1S)-2-[4-(1-benzofuran-2-yl)p...)
Show SMILES COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2cc3ccccc3o2)C(N)=O)c1OC |r|
Show InChI InChI=1S/C41H46N4O7/c1-25(2)37(45-40(48)30-14-10-16-35(50-3)38(30)51-4)41(49)44-31(21-26-11-6-5-7-12-26)33(46)24-43-32(39(42)47)22-27-17-19-28(20-18-27)36-23-29-13-8-9-15-34(29)52-36/h5-20,23,25,31-33,37,43,46H,21-22,24H2,1-4H3,(H2,42,47)(H,44,49)(H,45,48)/t31-,32-,33-,37-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 20n/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