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BDBM50308517 2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*-[1,2]oxaphosphinine-5-carboxylic acid methyl ester::CHEMBL592857

SMILES: COC(=O)C1=C(C)OP(O)(OC)C=C1

InChI Key: InChIKey=IJNPAPAIOLQWLA-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308517   
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))
BDBM50308517
PNG
(2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*...)
Show SMILES COC(=O)C1=C(C)OP(O)(OC)C=C1
Show InChI InChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5,10,14H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10E+5n/an/an/an/an/an/an/an/a



University of Missouri St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2265-74 (2010)


Article DOI: 10.1016/j.bmc.2010.01.063
BindingDB Entry DOI: 10.7270/Q2RV0NTP
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50308517
PNG
(2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*...)
Show SMILES COC(=O)C1=C(C)OP(O)(OC)C=C1
Show InChI InChI=1S/C8H13O5P/c1-6-7(8(9)11-2)4-5-14(10,12-3)13-6/h4-5,10,14H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



University of Missouri St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2265-74 (2010)


Article DOI: 10.1016/j.bmc.2010.01.063
BindingDB Entry DOI: 10.7270/Q2RV0NTP
More data for this
Ligand-Target Pair