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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 = 'BDBM319717'   
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))		BDBM319717
PNG
(6-(2-(4-(benzo[b]thiophen-4-yl)piperidin-1-yl)ethy...)
Show SMILES O=C1CCc2cc(CCN3CCC(CC3)c3cccc4sccc34)ccc2N1
Show InChI InChI=1S/C24H26N2OS/c27-24-7-5-19-16-17(4-6-22(19)25-24)8-12-26-13-9-18(10-14-26)20-2-1-3-23-21(20)11-15-28-23/h1-4,6,11,15-16,18H,5,7-10,12-14H2,(H,25,27)
PDB
MMDB

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US Patent
n/an/a 185n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES; SUZHOU VIGONVITA LIFE SCIENCES CO., LTD.; TOPHARMAN SHANDONG CO., LTD.

US Patent


Assay Description
The 5-HT2A receptor antagonism activity test (The antagonism activity of test compounds on 5-HT2A receptor expressing human recombinant 5-HT2A recept...

US Patent US10174011 (2019)


BindingDB Entry DOI: 10.7270/Q2VH5QX7
More data for this
Ligand-Target Pair