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BDBM50513826 CHEMBL4442042

SMILES: Br.Br.[H][C@@]12CC[C@@]([H])(N1)[C@@H]([C@@H]2NCc1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1

InChI Key: InChIKey=WLURVUOYYCRJSR-VOGDVKQJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513826   
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 4 (PM-IV)


(Plasmodium falciparum)		BDBM50513826
PNG
(CHEMBL4442042)
Show SMILES Br.Br.[H][C@@]12CC[C@@]([H])(N1)[C@@H]([C@@H]2NCc1cccc(Br)c1)S(=O)(=O)c1ccc(CCCCCC)cc1 |r,THB:11:10:5.4:8|
Show InChI InChI=1S/C25H33BrN2O2S.2BrH/c1-2-3-4-5-7-18-10-12-21(13-11-18)31(29,30)25-23-15-14-22(28-23)24(25)27-17-19-8-6-9-20(26)16-19;;/h6,8-13,16,22-25,27-28H,2-5,7,14-15,17H2,1H3;2*1H/t22-,23+,24+,25-;;/m0../s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 4 using fluorescently labeled peptide substrate by fluorescence method

J Med Chem 62: 8931-8950 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00184
More data for this
Ligand-Target Pair