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BDBM50497546 CHEMBL3359695

SMILES: ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=LGMNTGBSDLNSAJ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50497546   
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
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50497546
PNG
(CHEMBL3359695)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.154n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50497546
PNG
(CHEMBL3359695)
Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay


J Med Chem 57: 9168-83 (2014)


Article DOI: 10.1021/jm501323a
BindingDB Entry DOI: 10.7270/Q2QN69RJ
More data for this
Ligand-Target Pair