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BDBM50513854 CHEMBL4469671

SMILES: OS(=O)(=O)c1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

InChI Key: InChIKey=VIAOOLNFRLBZGI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50513854   
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)		BDBM50513854
PNG
(CHEMBL4469671)
Show SMILES OS(=O)(=O)c1cc(Cl)c(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl4N2O5S/c20-10-1-4-12(5-2-10)30-17-6-3-11(7-15(17)23)24-19(26)25-16-8-13(21)14(22)9-18(16)31(27,28)29/h1-9H,(H2,24,25,26)(H,27,28,29)
PDB
MMDB

KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
 50n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 incubated for 10 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS addition and measured...

J Med Chem 62: 8931-8950 (2019)


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