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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50200021'   
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)		BDBM50200021
PNG
((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-(1-(4-(6-methoxyqu...)
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)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Show InChI InChI=1S/C53H75N7O8/c1-10-12-25-54-47(62)32-46(61)43(28-33(3)4)58-53(66)48(35(7)11-2)60-51(64)38-19-23-41(24-20-38)68-40-21-17-37(18-22-40)50(63)59-45(29-34(5)6)52(65)56-27-13-15-36(8)57-44-31-42(67-9)30-39-16-14-26-55-49(39)44/h14,16-24,26,30-31,33-36,43,45-46,48,57,61H,10-13,15,25,27-29,32H2,1-9H3,(H,54,62)(H,56,65)(H,58,66)(H,59,63)(H,60,64)/t35?,36?,43-,45-,46-,48-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 765n/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