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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 = 'BDBM31010'   
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))		BDBM31010
PNG
(4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2...)
Show SMILES COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
Show InChI InChI=1S/C16H19N5O3/c1-9-4-5-11(6-10(9)2)18-16-20-13(19-15(17)21-16)7-12(22)8-14(23)24-3/h4-6H,7-8H2,1-3H3,(H3,17,18,19,20,21)
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PC sid
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PCBioAssay
n/an/an/an/a 5.00E+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