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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 = 'BDBM106442'   
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))		BDBM106442
PNG
(US8586579, 31)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1 |r,wU:6.5,wD:9.9,(9.63,-.82,;8.09,-.82,;7.32,.52,;8.65,1.29,;5.98,-.25,;6.54,1.85,;5.01,1.85,;4.23,.52,;2.69,.52,;1.93,1.85,;.38,1.85,;-.38,.52,;-1.93,.52,;-2.69,-.82,;-4.23,-.82,;-5.01,.52,;-4.23,1.85,;-2.69,1.85,;-6.55,.52,;-7.32,1.85,;-8.86,1.85,;-9.63,.52,;-8.86,-.82,;-9.33,-2.28,;-8.08,-3.19,;-6.84,-2.28,;-7.32,-.82,;2.69,3.19,;4.23,3.19,)|
Show InChI InChI=1S/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18-
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Similars
US Patent
 2.90n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...

US Patent US8586579 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K55
More data for this
Ligand-Target Pair