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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50200020'   
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)		BDBM50200020
PNG
((3S,4S)-4-((2S,3S)-2-(4-(4-((4-(6-methoxyquinolin-...)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Show InChI InChI=1S/C47H64N6O7/c1-8-10-23-48-42(55)29-41(54)39(26-30(3)4)52-47(58)43(31(5)9-2)53-46(57)34-17-21-37(22-18-34)60-36-19-15-33(16-20-36)45(56)50-25-11-13-32(6)51-40-28-38(59-7)27-35-14-12-24-49-44(35)40/h12,14-22,24,27-28,30-32,39,41,43,51,54H,8-11,13,23,25-26,29H2,1-7H3,(H,48,55)(H,50,56)(H,52,58)(H,53,57)/t31?,32?,39-,41-,43-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 81n/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