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BDBM50208218 CHEMBL3883432

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1

InChI Key:

Data: 1 KI  3 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 4 hits for monomerid = 50208218   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50208218
PNG
(CHEMBL3883432)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
36n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50208218
PNG
(CHEMBL3883432)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE preincubated for 5 mins followed by butyrylthiocholine iodide substrate addition measured after 5 mins by Ellman's m...


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50208218
PNG
(CHEMBL3883432)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman'...


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50208218
PNG
(CHEMBL3883432)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCCNc2c3CCCCc3nc3ccccc23)CC1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman's met...


Eur J Med Chem 124: 63-81 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.016
BindingDB Entry DOI: 10.7270/Q2PZ5BT8
More data for this
Ligand-Target Pair