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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 = 'BDBM50005138'   
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))
BDBM50005138
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-phenyl-et...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H19ClN2O/c19-16-7-4-8-17(14-16)20-9-11-21(12-10-20)18(22)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.48E+4n/an/an/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement


J Med Chem 39: 126-34 (1996)


Article DOI: 10.1021/jm950410b
BindingDB Entry DOI: 10.7270/Q2VX0K7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50005138
PNG
(1-[4-(3-Chloro-phenyl)-piperazin-1-yl]-2-phenyl-et...)
Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C18H19ClN2O/c19-16-7-4-8-17(14-16)20-9-11-21(12-10-20)18(22)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.48E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair