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BDBM50027343 CHEBI:75701::ISOPROPYL METHYLPHOSPHONOFLUORIDATE

SMILES: CC(C)OP(C)(F)=O

InChI Key: InChIKey=DYAHQFWOVKZOOW-UHFFFAOYSA-N

Data: 1 Kd  2 Kon

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 3 hits for monomerid = 50027343   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50027343
PNG
(CHEBI:75701 | ISOPROPYL METHYLPHOSPHONOFLUORIDATE)
Show SMILES CC(C)OP(C)(F)=O
Show InChI InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 4.50E+5n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50027343
PNG
(CHEBI:75701 | ISOPROPYL METHYLPHOSPHONOFLUORIDATE)
Show SMILES CC(C)OP(C)(F)=O
Show InChI InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+3n/an/an/an/an/a



University of Missouri St. Louis

Curated by ChEMBL


Assay Description
Binding affinity to Electric eel AChE


Bioorg Med Chem 25: 3053-3058 (2017)


Article DOI: 10.1016/j.bmc.2017.03.058
BindingDB Entry DOI: 10.7270/Q2H70J09
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50027343
PNG
(CHEBI:75701 | ISOPROPYL METHYLPHOSPHONOFLUORIDATE)
Show SMILES CC(C)OP(C)(F)=O
Show InChI InChI=1S/C4H10FO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/an/a 1.23E+4n/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE


J Med Chem 51: 3154-70 (2008)


Article DOI: 10.1021/jm701253t
BindingDB Entry DOI: 10.7270/Q22Z16D4
More data for this
Ligand-Target Pair