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BDBM50139529 CHEMBL166217::Octyl-carbamic acid 2-octylcarbamoyloxy-phenyl ester

SMILES: CCCCCCCCNC(=O)Oc1ccccc1OC(=O)NCCCCCCCC

InChI Key: InChIKey=ZJULVVIDWRIWLF-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 = 50139529   
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, major isoenzyme


(Sus scrofa (pig))
BDBM50139529
PNG
(CHEMBL166217 | Octyl-carbamic acid 2-octylcarbamoy...)
Show SMILES CCCCCCCCNC(=O)Oc1ccccc1OC(=O)NCCCCCCCC
Show InChI InChI=1S/C24H40N2O4/c1-3-5-7-9-11-15-19-25-23(27)29-21-17-13-14-18-22(21)30-24(28)26-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3,(H,25,27)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.10E+4n/an/an/an/an/an/an/an/a



National Chung-Hsing University

Curated by ChEMBL


Assay Description
Binding affinity of the compound against phospholipase A2 of Naja mocambique mocambique


Bioorg Med Chem Lett 14: 751-5 (2004)


BindingDB Entry DOI: 10.7270/Q2BK1BRZ
More data for this
Ligand-Target Pair