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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 = 'BDBM31077'   
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))
BDBM31077
PNG
(MLS000114784 | N-(1-cyano-9,10-dimethoxy-2,3,6,7-t...)
Show SMILES COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC
Show InChI InChI=1S/C22H21N3O4S/c1-28-19-12-15-10-11-25-21(24-30(26,27)17-6-4-3-5-7-17)9-8-16(14-23)22(25)18(15)13-20(19)29-2/h3-7,9,12-13,24H,8,10-11H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.00E+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