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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM31059'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM31059
PNG
(2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,...)
Show SMILES COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3
UniProtKB/SwissProt

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UniChem

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PCBioAssay
n/an/a 2.50E+4n/an/an/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/Q2S46Q8P
More data for this
Ligand-Target Pair