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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50107245'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50107245
PNG
(1-[4-(3-Methoxy-phenyl)-butyl]-4-pyridin-2-yl-pipe...)
Show SMILES COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50107245
PNG
(1-[4-(3-Methoxy-phenyl)-butyl]-4-pyridin-2-yl-pipe...)
Show SMILES COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
Show InChI InChI=1S/C20H27N3O/c1-24-19-9-6-8-18(17-19)7-3-5-12-22-13-15-23(16-14-22)20-10-2-4-11-21-20/h2,4,6,8-11,17H,3,5,7,12-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
23n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal membranes


J Med Chem 44: 4431-42 (2001)


BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair