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BDBM50146856 5-Methyl-1-[5-(2-oxo-6-phenyl-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-1H-pyrimidine-2,4-dione::CHEMBL97804

SMILES: Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)-c3ccccc3)C=C2)c(=O)[nH]c1=O

InChI Key: InChIKey=UPIORTQCYDXUFS-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 = 50146856   
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))
BDBM50146856
PNG
(5-Methyl-1-[5-(2-oxo-6-phenyl-4H-2lambda*5*-benzo[...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)-c3ccccc3)C=C2)c(=O)[nH]c1=O |c:29|
Show InChI InChI=1S/C23H21N2O7P/c1-15-12-25(23(27)24-22(15)26)21-10-8-19(31-21)14-30-33(28)29-13-18-11-17(7-9-20(18)32-33)16-5-3-2-4-6-16/h2-12,19,21H,13-14H2,1H3,(H,24,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+3n/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))
BDBM50146856
PNG
(5-Methyl-1-[5-(2-oxo-6-phenyl-4H-2lambda*5*-benzo[...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)-c3ccccc3)C=C2)c(=O)[nH]c1=O |c:29|
Show InChI InChI=1S/C23H21N2O7P/c1-15-12-25(23(27)24-22(15)26)21-10-8-19(31-21)14-30-33(28)29-13-18-11-17(7-9-20(18)32-33)16-5-3-2-4-6-16/h2-12,19,21H,13-14H2,1H3,(H,24,26,27)
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