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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50200023'   
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)		BDBM50200023
PNG
((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Show InChI InChI=1S/C59H86N8O9/c1-12-14-27-60-52(69)35-51(68)47(30-36(3)4)64-59(74)53(39(9)13-2)67-56(71)42-21-25-45(26-22-42)76-44-23-19-41(20-24-44)55(70)65-50(32-38(7)8)58(73)66-49(31-37(5)6)57(72)62-29-15-17-40(10)63-48-34-46(75-11)33-43-18-16-28-61-54(43)48/h16,18-26,28,33-34,36-40,47,49-51,53,63,68H,12-15,17,27,29-32,35H2,1-11H3,(H,60,69)(H,62,72)(H,64,74)(H,65,70)(H,66,73)(H,67,71)/t39?,40?,47-,49-,50-,51-,53-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 58n/an/an/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant PLM1

J Med Chem 49: 7440-9 (2006)


Article DOI: 10.1021/jm061033d
BindingDB Entry DOI: 10.7270/Q29P319W
More data for this
Ligand-Target Pair