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BDBM50117601 1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmethylene)-1-methyl-piperidinium; bromide::CHEMBL87550

SMILES: COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC

InChI Key: InChIKey=FEUIMOLNAYWYJX-AQTBWJFISA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50117601   
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))
BDBM50117601
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.67E+3n/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)


Article DOI: 10.1016/s0960-894x(02)00483-3
BindingDB Entry DOI: 10.7270/Q28916C0
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50117601
PNG
(1-Benzyl-4-(5,6-dimethoxy-benzo[b]thiophen-2-ylmet...)
Show SMILES COc1cc2cc(C=C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC
Show InChI InChI=1S/C24H28NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,13-16H,9-12,17H2,1-3H3/q+1/b18-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2569-72 (2002)


Article DOI: 10.1016/s0960-894x(02)00483-3
BindingDB Entry DOI: 10.7270/Q28916C0
More data for this
Ligand-Target Pair