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3 similar compounds to monomer 50402577

Compile data set for download or QSAR
Wt: 465.2
BDBM50402576
Wt: 386.3
BDBM50402592
Wt: 386.3
BDBM50402593

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50402576,50402592,50402593   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50402576
PNG
(CHEMBL2206130)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 494n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50402592
PNG
(CHEMBL2205574)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4ccccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H17FNO3/c25-20-8-5-18(6-9-20)16-26-13-11-17(12-14-26)7-10-22(27)21-15-19-3-1-2-4-23(19)29-24(21)28/h1-15H,16H2/q+1/b10-7+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50402592
PNG
(CHEMBL2205574)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4ccccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H17FNO3/c25-20-8-5-18(6-9-20)16-26-13-11-17(12-14-26)7-10-22(27)21-15-19-3-1-2-4-23(19)29-24(21)28/h1-15H,16H2/q+1/b10-7+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50402576
PNG
(CHEMBL2206130)
Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1
Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.460n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50402593
PNG
(CHEMBL2205573)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C24H17FNO3/c25-21-7-3-1-6-19(21)16-26-13-11-17(12-14-26)9-10-22(27)20-15-18-5-2-4-8-23(18)29-24(20)28/h1-15H,16H2/q+1/b10-9+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50402593
PNG
(CHEMBL2205573)
Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C24H17FNO3/c25-21-7-3-1-6-19(21)16-26-13-11-17(12-14-26)9-10-22(27)20-15-18-5-2-4-8-23(18)29-24(20)28/h1-15H,16H2/q+1/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 848n/an/an/an/an/an/a



University College of Science

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 20: 7214-22 (2012)


Article DOI: 10.1016/j.bmc.2012.08.052
BindingDB Entry DOI: 10.7270/Q2SQ91J0
More data for this
Ligand-Target Pair