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BDBM50327870 (1-Butylpiperidin-4-yl)methyl 7-iodo-8-(methylamino)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate::CHEMBL1258339

SMILES: CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1

InChI Key: InChIKey=FYCHFVJHZAFFDP-UHFFFAOYSA-N

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 = 50327870   
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 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327870
PNG
((1-Butylpiperidin-4-yl)methyl 7-iodo-8-(methylamin...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29IN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4 receptor expressed in HEK293 cells


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327870
PNG
((1-Butylpiperidin-4-yl)methyl 7-iodo-8-(methylamin...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29IN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Agonist activity at 5HT4 receptor expressed in HEK293/L9 cells by cAMP assay


J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair