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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50200016'   
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)		BDBM50200016
PNG
((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-(tert-bu...)
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](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r|
Show InChI InChI=1S/C64H95N9O11/c1-13-15-31-65-55(75)39-54(74)51(35-40(3)4)71-62(80)56(42(7)14-2)73-59(77)45-25-29-48(30-26-45)83-47-27-23-44(24-28-47)58(76)72-53(36-41(5)6)61(79)70-50(22-16-17-32-68-63(81)84-64(9,10)11)60(78)67-34-18-20-43(8)69-52-38-49(82-12)37-46-21-19-33-66-57(46)52/h19,21,23-30,33,37-38,40-43,50-51,53-54,56,69,74H,13-18,20,22,31-32,34-36,39H2,1-12H3,(H,65,75)(H,67,78)(H,68,81)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t42?,43?,50-,51-,53-,54-,56-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/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