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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50263286'   
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 1A


(Rattus norvegicus (rat))
BDBM50263286
PNG
(2-[[2-[4-(2-Nitrophenyl)-1-piperazinyl]ethyl]thio]...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H21N5O2S/c25-24(26)18-8-4-3-7-17(18)23-11-9-22(10-12-23)13-14-27-19-20-15-5-1-2-6-16(15)21-19/h1-8H,9-14H2,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95.2n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair