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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 = 'BDBM30671'   
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))		BDBM30671
PNG
(1,7-Dibenzyl-8-ethylamino-3-methyl-3,7-dihydro-pur...)
Show SMILES CCNc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C22H23N5O2/c1-3-23-21-24-19-18(26(21)14-16-10-6-4-7-11-16)20(28)27(22(29)25(19)2)15-17-12-8-5-9-13-17/h4-13H,3,14-15H2,1-2H3,(H,23,24)
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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