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SMILES: OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1

InChI Key: InChIKey=OTGYBIQMXQUAQG-QYXBEELJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50500851   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Plasmepsin V


(Plasmodium falciparum (isolate 3D7))		BDBM50500851
PNG
(CHEMBL3780033)
Show SMILES OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 |r|
Show InChI InChI=1S/C34H51N7O7.C2HF3O2/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25;3-2(4,5)1(6)7/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41);(H,6,7)/t26-,27-,28-,30-;/m0./s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



The University of Melbourne

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PMV assessed as fluorogenic substrate cleavage using DABCYL-RNKRTLAQKQ-E-EDANS as fluorogenic substrate after 120...

Bioorg Med Chem 24: 1993-2010 (2016)


Article DOI: 10.1016/j.bmc.2016.03.027
BindingDB Entry DOI: 10.7270/Q21R6THF
More data for this
Ligand-Target Pair