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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 = 'BDBM50142649'   
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))		BDBM50142649
PNG
(8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES Fc1cnc(nc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H30FN5O2/c22-17-15-23-20(24-16-17)26-11-9-25(10-12-26)7-3-4-8-27-18(28)13-21(14-19(27)29)5-1-2-6-21/h15-16H,1-14H2
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Article
PubMed
n/an/a 63n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay

Bioorg Med Chem Lett 14: 1709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.045
BindingDB Entry DOI: 10.7270/Q2ZW1KB5
More data for this
Ligand-Target Pair