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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 = 'BDBM31028'   
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))
BDBM31028
PNG
(3-[2-(4-carbethoxypiperidino)-2-keto-ethyl]-1-meth...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H24N2O5/c1-3-27-20(26)13-8-10-22(11-9-13)17(23)12-15-14-6-4-5-7-16(14)21(2)18(15)19(24)25/h4-7,13H,3,8-12H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair