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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 = 'BDBM30871'   
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))
BDBM30871
PNG
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-methyl-1-(3...)
Show SMILES Cc1nc2cc(ccc2n1-c1cccc(C)c1)C(=O)N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C23H25N3O3/c1-16-4-3-5-19(14-16)26-17(2)24-20-15-18(6-7-21(20)26)22(27)25-10-8-23(9-11-25)28-12-13-29-23/h3-7,14-15H,8-13H2,1-2H3
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.90E+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/Q21N7ZG0
More data for this
Ligand-Target Pair