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BDBM50146880 1-[4-Hydroxy-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL3142709

SMILES: Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12

InChI Key: InChIKey=OMJHRNDSKIJAMX-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146880   
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))
BDBM50146880
PNG
(1-[4-Hydroxy-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo...)
Show SMILES Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12 |r|
Show InChI InChI=1S/C18H21N2O8P/c1-10-4-3-5-12-8-25-29(24,28-16(10)12)26-9-14-13(21)6-15(27-14)20-7-11(2)17(22)19-18(20)23/h3-5,7,13-15,21H,6,8-9H2,1-2H3,(H,19,22,23)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+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))
BDBM50146880
PNG
(1-[4-Hydroxy-5-(8-methyl-2-oxo-4H-2lambda*5*-benzo...)
Show SMILES Cc1cccc2COP(=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(C)c(=O)[nH]c3=O)Oc12 |r|
Show InChI InChI=1S/C18H21N2O8P/c1-10-4-3-5-12-8-25-29(24,28-16(10)12)26-9-14-13(21)6-15(27-14)20-7-11(2)17(22)19-18(20)23/h3-5,7,13-15,21H,6,8-9H2,1-2H3,(H,19,22,23)
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