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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serotonin 2 (5-HT2) receptor' and Ligand = 'BDBM50010031'   
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
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)		BDBM50010031
PNG
(2-(3-{4-[Bis-(4-fluoro-phenyl)-methylene]-piperidi...)
Show SMILES Fc1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]2-c3cccc4cccc(c34)S2(=O)=O)-[#6]-[#6]-1)\c1ccc(F)cc1
Show InChI InChI=1S/C31H28F2N2O2S/c32-26-12-8-23(9-13-26)30(24-10-14-27(33)15-11-24)25-16-20-34(21-17-25)18-3-19-35-28-6-1-4-22-5-2-7-29(31(22)28)38(35,36)37/h1-2,4-15H,3,16-21H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 11n/an/an/an/an/an/a



Centre de Recherches de Vitry Alfortville Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
The concentration required to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat brain membranes (in vitro)

J Med Chem 34: 2477-83 (1991)


BindingDB Entry DOI: 10.7270/Q2R78FT1
More data for this
Ligand-Target Pair