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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 = 'BDBM50010051'   
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...)
BDBM50010051
PNG
(2-{3-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show InChI InChI=1S/C24H27N3O3S/c1-30-21-11-9-20(10-12-21)26-17-15-25(16-18-26)13-4-14-27-22-7-2-5-19-6-3-8-23(24(19)22)31(27,28)29/h2-3,5-12H,4,13-18H2,1H3
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 25n/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