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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 = 'BDBM319706'   
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))		BDBM319706
PNG
(7-(2-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)ethy...)
Show SMILES O=S1(=O)NCCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
Show InChI InChI=1S/C22H25N3O2S2/c26-29(27)22-16-17(4-5-18(22)6-9-23-29)7-10-24-11-13-25(14-12-24)20-2-1-3-21-19(20)8-15-28-21/h1-5,8,15-16,23H,6-7,9-14H2
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 1.67n/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