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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 = 'BDBM319695'   
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))		BDBM319695
PNG
(7-(2-(4-(2-fluorobenzo[b]thiophen-4-yl)piperazin-1...)
Show SMILES Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
PDB
MMDB

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US Patent
n/an/a 257n/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