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BDBM50165901 Acetic acid 3-octylcarbamoyloxy-phenyl ester::CHEMBL383369

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

InChI Key: InChIKey=KPHRPXWRDLYOKQ-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165901   
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)
BDBM50165901
PNG
(Acetic acid 3-octylcarbamoyloxy-phenyl ester | CHE...)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(OC(C)=O)c1
Show InChI InChI=1S/C17H25NO4/c1-3-4-5-6-7-8-12-18-17(20)22-16-11-9-10-15(13-16)21-14(2)19/h9-11,13H,3-8,12H2,1-2H3,(H,18,20)
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.80E+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