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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50029253'   
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


(Rattus norvegicus (rat))
BDBM50029253
PNG
(1-(5-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc(CN3CCCCC3=O)n2C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-25-20(10-11-21(25)19-28-13-6-5-9-24(28)29)12-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-8,10-11H,5-6,9,12-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.40n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3H]WB-4101


J Med Chem 38: 4198-210 (1995)


BindingDB Entry DOI: 10.7270/Q2GX4C61
More data for this
Ligand-Target Pair