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BDBM50146881 1-[5-(5-Chloro-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL95192

SMILES: Cc1cn(C2OC(COP3(=O)OCc4c(Cl)cccc4O3)C=C2)c(=O)[nH]c1=O

InChI Key: InChIKey=IMUOYDBGQMLQRT-UHFFFAOYSA-N

Data: 2 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 = 50146881   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50146881
PNG
(1-[5-(5-Chloro-2-oxo-4H-2lambda*5*-benzo[1,3,2]dio...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4c(Cl)cccc4O3)C=C2)c(=O)[nH]c1=O |c:23|
Show InChI InChI=1S/C17H16ClN2O7P/c1-10-7-20(17(22)19-16(10)21)15-6-5-11(26-15)8-24-28(23)25-9-12-13(18)3-2-4-14(12)27-28/h2-7,11,15H,8-9H2,1H3,(H,19,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards human butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50146881
PNG
(1-[5-(5-Chloro-2-oxo-4H-2lambda*5*-benzo[1,3,2]dio...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4c(Cl)cccc4O3)C=C2)c(=O)[nH]c1=O |c:23|
Show InChI InChI=1S/C17H16ClN2O7P/c1-10-7-20(17(22)19-16(10)21)15-6-5-11(26-15)8-24-28(23)25-9-12-13(18)3-2-4-14(12)27-28/h2-7,11,15H,8-9H2,1H3,(H,19,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards Electrophorus electricus acetylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair