BindingDB logo
myBDB logout

BDBM50286926 2,2-Dichloroethenyl dimethyl phosphate::CHEMBL167911::DDVP::Dimethyl 2,2-dichlorovinyl phosphate::Dimethyl-2,2-dichlorovinyl phosphate::Phosphoric acid, 2,2-dichloroethenyl dimethyl ester::Phosphoric acid, 2,2-dichlorovinyl dimethyl ester

SMILES: [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl

InChI Key: InChIKey=OEBRKCOSUFCWJD-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50286926   
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))
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE after 10 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 627n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE after 60 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
n/an/a 5.99E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte acetylcholinesterase (AChE)


Bioorg Med Chem Lett 6: 77-80 (1996)


Article DOI: 10.1016/0960-894X(95)00562-8
BindingDB Entry DOI: 10.7270/Q27W6C5T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 324n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Anopheles gambiae)
BDBM50286926
PNG
(2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167...)
Show SMILES [#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 60n/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay


Bioorg Med Chem Lett 25: 4405-11 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60QV8
More data for this
Ligand-Target Pair