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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50102389'   
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))
BDBM50102389
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H23N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9H,10-15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
50n/an/an/an/an/an/an/an/a



Universidad de Navarra

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 418-28 (2001)


BindingDB Entry DOI: 10.7270/Q22B8XBC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102389
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(4-nitroph...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C20H23N3O4/c1-27-20-5-3-2-4-18(20)22-14-12-21(13-15-22)11-10-19(24)16-6-8-17(9-7-16)23(25)26/h2-9H,10-15H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
50.1n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair