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BDBM50146884 1-[5-(6,8-Di-tert-butyl-5-fluoro-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::CHEMBL97177

SMILES: Cc1cn(C2OC(COP3(=O)OCc4c(F)c(cc(c4O3)C(C)(C)C)C(C)(C)C)C=C2)c(=O)[nH]c1=O

InChI Key: InChIKey=OFXDQYWUBQYOOZ-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146884   
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))
BDBM50146884
PNG
(1-[5-(6,8-Di-tert-butyl-5-fluoro-2-oxo-4H-2lambda*...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4c(F)c(cc(c4O3)C(C)(C)C)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:31|
Show InChI InChI=1S/C25H32FN2O7P/c1-14-11-28(23(30)27-22(14)29)19-9-8-15(34-19)12-32-36(31)33-13-16-20(26)17(24(2,3)4)10-18(21(16)35-36)25(5,6)7/h8-11,15,19H,12-13H2,1-7H3,(H,27,29,30)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+4n/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))
BDBM50146884
PNG
(1-[5-(6,8-Di-tert-butyl-5-fluoro-2-oxo-4H-2lambda*...)
Show SMILES Cc1cn(C2OC(COP3(=O)OCc4c(F)c(cc(c4O3)C(C)(C)C)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:31|
Show InChI InChI=1S/C25H32FN2O7P/c1-14-11-28(23(30)27-22(14)29)19-9-8-15(34-19)12-32-36(31)33-13-16-20(26)17(24(2,3)4)10-18(21(16)35-36)25(5,6)7/h8-11,15,19H,12-13H2,1-7H3,(H,27,29,30)
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