BindingDB logo
myBDB logout

BDBM50181845 (1S,7aS)-1-{[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl}-4-methylhexahydro-1H-pyrrolizinium, iodide::CHEMBL199866

SMILES: COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12

InChI Key: InChIKey=LTQHQDIRLBDYQH-DQLGPHAMSA-O

Data: 1 KI  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 = 50181845   
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
HTR4


(GUINEA PIG)
BDBM50181845
PNG
((1S,7aS)-1-{[(4-amino-5-chloro-2-methoxybenzoyl)am...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12
Show InChI InChI=1S/C17H24ClN3O2/c1-21-6-3-4-15(21)11(5-7-21)10-20-17(22)12-8-13(18)14(19)9-16(12)23-2/h8-9,11,15H,3-7,10H2,1-2H3,(H2-,19,20,22)/p+1/t11-,15-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.350n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181845
PNG
((1S,7aS)-1-{[(4-amino-5-chloro-2-methoxybenzoyl)am...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12
Show InChI InChI=1S/C17H24ClN3O2/c1-21-6-3-4-15(21)11(5-7-21)10-20-17(22)12-8-13(18)14(19)9-16(12)23-2/h8-9,11,15H,3-7,10H2,1-2H3,(H2-,19,20,22)/p+1/t11-,15-,21+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 129n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair