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BDBM50127647 CHEMBL296745::Phosphoric acid diethyl ester phenyl ester

SMILES: CCOP(=O)(OCC)Oc1ccccc1

InChI Key: InChIKey=DHTQKXHLXVUBCF-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50127647   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50127647
PNG
(CHEMBL296745 | Phosphoric acid diethyl ester pheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccccc1
Show InChI InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.59E+6n/an/an/an/an/an/an/an/a



California State University

Curated by ChEMBL


Assay Description
Inhibition of horse serum BChE using butyrylthiocholine as substrate by spectrophotometry


Bioorg Med Chem 25: 3171-3181 (2017)


Article DOI: 10.1016/j.bmc.2017.04.002
BindingDB Entry DOI: 10.7270/Q2NV9MQD
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50127647
PNG
(CHEMBL296745 | Phosphoric acid diethyl ester pheny...)
Show SMILES CCOP(=O)(OCC)Oc1ccccc1
Show InChI InChI=1S/C10H15O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.27E+6n/an/an/an/an/an/a



The University of Birmingham

Curated by ChEMBL


Assay Description
Inhibitory activity against human serum paraoxonase (PON1)


Bioorg Med Chem Lett 13: 1623-6 (2003)


BindingDB Entry DOI: 10.7270/Q23B60P7
More data for this
Ligand-Target Pair