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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasmepsin I' and Ligand = 'BDBM50461472'   
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 I


(Plasmodium falciparum)		BDBM50461472
PNG
(CHEMBL4227074)
Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O
Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...

Bioorg Med Chem 26: 2488-2500 (2018)


Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH
More data for this
Ligand-Target Pair