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1 similar compounds to monomer 50431030

Compile data set for download or QSAR
Wt: 365.3
BDBM50430663

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50430663   
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))
BDBM50430663
PNG
(CHEMBL2332536)
Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)C=C
Show InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h2-12H,1,13-14H2/b17-11+,18-12+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide substrate by Ellman's method based spectrophotometry


Bioorg Med Chem 21: 1696-707 (2013)


Article DOI: 10.1016/j.bmc.2013.01.066
BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50430663
PNG
(CHEMBL2332536)
Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)C=C
Show InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h2-12H,1,13-14H2/b17-11+,18-12+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...


Bioorg Med Chem Lett 23: 2979-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.027
BindingDB Entry DOI: 10.7270/Q2057H97
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50430663
PNG
(CHEMBL2332536)
Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)C=C
Show InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-7-3-5-9-19(15)23)22(27)18(14-25)12-16-8-4-6-10-20(16)24/h2-12H,1,13-14H2/b17-11+,18-12+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride substrate by Ellman's method based spectrophotometry


Bioorg Med Chem 21: 1696-707 (2013)


Article DOI: 10.1016/j.bmc.2013.01.066
BindingDB Entry DOI: 10.7270/Q2RJ4KVQ
More data for this
Ligand-Target Pair