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BDBM50319684 1-(2,2'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl)urea::CHEMBL1086577

SMILES: O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1

InChI Key: InChIKey=SLMFOVKWAUVQPC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50319684   
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 3A


(Homo sapiens (Human))
BDBM50319684
PNG
(1-(2,2'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl...)
Show SMILES O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C20H27N5O/c26-20(22-12-4-7-15-25-13-5-1-6-14-25)24-17-9-10-19(23-16-17)18-8-2-3-11-21-18/h2-3,8-11,16H,1,4-7,12-15H2,(H2,22,24,26)
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT3A receptor expressed in HEK293 cells by FLIPR assay


J Med Chem 53: 4379-89 (2010)


Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50319684
PNG
(1-(2,2'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl...)
Show SMILES O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C20H27N5O/c26-20(22-12-4-7-15-25-13-5-1-6-14-25)24-17-9-10-19(23-16-17)18-8-2-3-11-21-18/h2-3,8-11,16H,1,4-7,12-15H2,(H2,22,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in rat GH4C1 cells


J Med Chem 53: 4379-89 (2010)


Article DOI: 10.1021/jm901692q
BindingDB Entry DOI: 10.7270/Q2S46S4Q
More data for this
Ligand-Target Pair