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BDBM50165905 CHEMBL196473::Octanoic acid 3-octylcarbamoyloxy-phenyl ester

SMILES: CCCCCCCCNC(=O)Oc1cccc(OC(=O)CCCCCCC)c1

InChI Key: InChIKey=RNEJJSXYSXRWJZ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165905   
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
Phospholipase A2 isozyme CM-I


(Naja mossambica)
BDBM50165905
PNG
(CHEMBL196473 | Octanoic acid 3-octylcarbamoyloxy-p...)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(OC(=O)CCCCCCC)c1
Show InChI InChI=1S/C23H37NO4/c1-3-5-7-9-11-13-18-24-23(26)28-21-16-14-15-20(19-21)27-22(25)17-12-10-8-6-4-2/h14-16,19H,3-13,17-18H2,1-2H3,(H,24,26)
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against phospholipase A2


Bioorg Med Chem Lett 15: 2405-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.092
BindingDB Entry DOI: 10.7270/Q25X28GT
More data for this
Ligand-Target Pair