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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50200014'   
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)		BDBM50200014
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](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Show InChI InChI=1S/C56H80N8O9/c1-11-13-26-57-49(66)33-48(65)45(29-34(3)4)62-56(71)50(36(7)12-2)64-54(69)40-20-24-43(25-21-40)73-42-22-18-39(19-23-42)53(68)63-47(30-35(5)6)55(70)61-38(9)52(67)59-28-14-16-37(8)60-46-32-44(72-10)31-41-17-15-27-58-51(41)46/h15,17-25,27,31-32,34-38,45,47-48,50,60,65H,11-14,16,26,28-30,33H2,1-10H3,(H,57,66)(H,59,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t36?,37?,38-,45-,47-,48-,50-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 74n/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