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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin II' and Ligand = 'BDBM50366908'   
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 II


(Plasmodium falciparum)		BDBM50366908
PNG
(CHEMBL1790772)
Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc2cc(ccc2c1)C(=O)OCCCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)[C@H](C)CC
Show InChI InChI=1S/C61H91N9O10/c1-10-12-27-63-54(73)37-52(71)49(31-38(3)4)69-60(77)55(40(7)11-2)70-57(74)45-24-22-43-34-46(25-23-42(43)33-45)61(78)80-30-17-21-53(72)67-51(32-39(5)6)59(76)68-48(20-13-14-26-62)58(75)65-29-15-18-41(8)66-50-36-47(79-9)35-44-19-16-28-64-56(44)50/h16,19,22-25,28,33-36,38-41,48-49,51-52,55,66,71H,10-15,17-18,20-21,26-27,29-32,37,62H2,1-9H3,(H,63,73)(H,65,75)(H,67,72)(H,68,76)(H,69,77)(H,70,74)/t40-,41?,48-,49+,51-,52+,55+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 9.60n/an/an/an/an/an/a



University of Milan

Curated by ChEMBL


Assay Description
In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2

Bioorg Med Chem Lett 14: 2931-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.030
BindingDB Entry DOI: 10.7270/Q2G44QVR
More data for this
Ligand-Target Pair