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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM30811'   
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))
BDBM30811
PNG
(1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...)
Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM30811
PNG
(1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...)
Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.38E+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