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BDBM50327859 (1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-dihydrobenzo-[b][1,4]dioxine-5-carboxylate::CHEMBL1258108

SMILES: CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1

InChI Key: InChIKey=KLJXEYLHIBONBN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50327859   
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)
BDBM50327859
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-6-23-7-4-14(5-8-23)13-27-20(24)16-11-15(12-21)17(22)19-18(16)25-9-10-26-19/h11,14H,2-10,13,22H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.450n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatal membranes


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))
BDBM50327859
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-cyano-2,3-...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-6-23-7-4-14(5-8-23)13-27-20(24)16-11-15(12-21)17(22)19-18(16)25-9-10-26-19/h11,14H,2-10,13,22H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
33n/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