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BDBM50195388 CHEMBL387316::N-(4-((N-(2-(dibutylamino)ethyl)-4-pentylbenzamido)methyl)phenyl)-2-methoxyisonicotinamide

SMILES: CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2ccnc(OC)c2)cc1

InChI Key: InChIKey=MFIWYRHXSPAMFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195388   
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)
BDBM50195388
PNG
(CHEMBL387316 | N-(4-((N-(2-(dibutylamino)ethyl)-4-...)
Show SMILES CCCCCc1ccc(cc1)C(=O)N(CCN(CCCC)CCCC)Cc1ccc(NC(=O)c2ccnc(OC)c2)cc1
Show InChI InChI=1S/C36H50N4O3/c1-5-8-11-12-29-13-17-31(18-14-29)36(42)40(26-25-39(23-9-6-2)24-10-7-3)28-30-15-19-33(20-16-30)38-35(41)32-21-22-37-34(27-32)43-4/h13-22,27H,5-12,23-26,28H2,1-4H3,(H,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 154n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of PM2 by FRET assay


Bioorg Med Chem Lett 16: 6194-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.027
BindingDB Entry DOI: 10.7270/Q2QJ7GZN
More data for this
Ligand-Target Pair