new BindingDB logo
myBDB logout

BDBM50327875 (1-Butylpiperidin-4-yl)methyl 8-Amino-7-nitro-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylate::CHEMBL1255606

SMILES: CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+]([O-])=O)CC1

InChI Key: InChIKey=AEUGQTCHMZAAES-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50327875   
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))
BDBM50327875
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-nitro-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+]([O-])=O)CC1
Show InChI InChI=1S/C19H27N3O6/c1-2-3-6-21-7-4-13(5-8-21)12-28-19(23)14-11-15(22(24)25)16(20)18-17(14)26-9-10-27-18/h11,13H,2-10,12,20H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.80n/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