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SMILES: COP(=O)(OC)OC(C(C)CC#N)c1ccccc1

InChI Key: InChIKey=OAHFGXLDIPRUAO-UHFFFAOYSA-N

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 = 227567   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))		BDBM227567
PNG
(Dimethyl-3-cyano-2-methyl-1-phenylpropylphosphate ...)
Show SMILES COP(=O)(OC)OC(C(C)CC#N)c1ccccc1
Show InChI InChI=1S/C13H18NO4P/c1-11(9-10-14)13(12-7-5-4-6-8-12)18-19(15,16-2)17-3/h4-8,11,13H,9H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.06E+4n/an/an/an/an/an/a



University of Carthage



Assay Description
The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...

Bioorg Chem 72: 301-307 (2017)


BindingDB Entry DOI: 10.7270/Q21G0K51
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM227567
PNG
(Dimethyl-3-cyano-2-methyl-1-phenylpropylphosphate ...)
Show SMILES COP(=O)(OC)OC(C(C)CC#N)c1ccccc1
Show InChI InChI=1S/C13H18NO4P/c1-11(9-10-14)13(12-7-5-4-6-8-12)18-19(15,16-2)17-3/h4-8,11,13H,9H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.95E+4n/an/an/an/an/an/a



University of Carthage



Assay Description
The eight synthesized dialkyl-3-cyanopropylphosphates (3a-h) were dissolved in0.01 M dimethyl sulphoxide and then diluted in demineralized water to 1...

Bioorg Chem 72: 301-307 (2017)


BindingDB Entry DOI: 10.7270/Q21G0K51
More data for this
Ligand-Target Pair