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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50106586'   
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 2A


(Homo sapiens (Human))		BDBM50106586
PNG
(CHEMBL3601043)
Show SMILES OCC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C26H31N3O3/c30-20-22-14-16-29(17-15-22)19-21-8-11-24(12-9-21)31-18-4-5-23-10-13-26(28-27-23)32-25-6-2-1-3-7-25/h1-3,6-13,22,30H,4-5,14-20H2
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)

Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair