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BDBM50514493 CHEMBL4440178

SMILES: COC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1

InChI Key: InChIKey=WQAGSKCENPZVHG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514493   
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 2


(Plasmodium falciparum)		BDBM50514493
PNG
(CHEMBL4440178)
Show SMILES COC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |c:13,TLB:7:9:14.13.12:17,31:13:10.9.16:17,THB:18:14:10.9.16:17|
Show InChI InChI=1S/C39H43BrFN3O5/c1-48-37(46)11-5-10-36(45)43-24-30-22-32(28-14-12-26(13-15-28)9-6-20-49-35-21-29(41)16-19-33(35)40)38(34(25-43)42-30)39(47)44(31-17-18-31)23-27-7-3-2-4-8-27/h2-4,7-8,12-16,19,21,30-31,34,42H,5-6,9-11,17-18,20,22-25H2,1H3
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PC cid
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Article
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n/an/a<10n/an/an/an/an/an/a



University of Zambia

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum Plasmepsin 2

J Med Chem 63: 4445-4467 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01622
More data for this
Ligand-Target Pair