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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM322115'   
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 2C


(Homo sapiens (Human))
BDBM322115
PNG
(1-[1-Benzyl-5-(benzylsulfanyl)-1H-pyrazol-3-yl]-N-...)
Show SMILES CN(Cc1cc(SCc2ccccc2)n(Cc2ccccc2)n1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H29N3O2S/c1-24(2,3)29-23(28)26(4)17-21-15-22(30-18-20-13-9-6-10-14-20)27(25-21)16-19-11-7-5-8-12-19/h5-15H,16-18H2,1-4H3
PDB

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US Patent
17n/an/an/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...


US Patent US10183913 (2019)


BindingDB Entry DOI: 10.7270/Q2MW2K73
More data for this
Ligand-Target Pair