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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 = 'BDBM50106601'   
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))		BDBM50106601
PNG
(CHEMBL3601045)
Show SMILES CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C27H31FN4O2/c1-20(33)29-24-14-16-32(17-15-24)19-21-4-11-26(12-5-21)34-18-2-3-25-10-13-27(31-30-25)22-6-8-23(28)9-7-22/h4-13,24H,2-3,14-19H2,1H3,(H,29,33)
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n/an/a 713n/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