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BDBM50308513 (3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-3lambda*5*-furo[3,4-e][1,3,2]dioxaphosphepin-6-one::CHEMBL590031

SMILES: CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1

InChI Key: InChIKey=JBANMOPKOHITOL-ROYHEGPKNA-N

Data: 2 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50308513   
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))
BDBM50308513
PNG
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)
Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1
Show InChI InChI=1/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/s2
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Article
PubMed
2.40E+4n/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))
BDBM50308513
PNG
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)
Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1
Show InChI InChI=1/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/s2
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UniChem

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Article
PubMed
1.40E+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))
BDBM50308513
PNG
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)
Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1
Show InChI InChI=1/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/s2
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Article
PubMed
n/an/a 3.00E+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
Cholinesterases


(Homo sapiens (Human))
BDBM50308513
PNG
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)
Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1
Show InChI InChI=1/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/s2
PDB
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UniChem

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Article
PubMed
n/an/a 3.00E+4n/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
Hormone-sensitive lipase (HSL)


(Rattus norvegicus (Rat))
BDBM50308513
PNG
((3R,8aR)-3-Methoxy-5-methyl-3-oxo-8,8a-dihydro-1H-...)
Show SMILES CO[P@@]1(=O)CC[C@H]2COC(=O)C2=C(C)O1
Show InChI InChI=1/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Missouri St. Louis

Curated by ChEMBL


Assay Description
Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [3H]triolein by scintillation counting


Bioorg Med Chem 23: 944-52 (2015)


Article DOI: 10.1016/j.bmc.2015.01.028
BindingDB Entry DOI: 10.7270/Q23X88BP
More data for this
Ligand-Target Pair