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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 = 'BDBM50007181'   
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))
BDBM50007181
PNG
(CHEMBL26539 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-30-24-14-6-5-13-23(24)28-20-18-27(19-21-28)17-8-7-16-26-25(29)15-9-12-22-10-3-2-4-11-22/h2-6,10-11,13-14H,7-9,12,15-21H2,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/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))
BDBM50007181
PNG
(CHEMBL26539 | N-{4-[4-(2-Methoxy-phenyl)-piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1
Show InChI InChI=1S/C25H35N3O2/c1-30-24-14-6-5-13-23(24)28-20-18-27(19-21-28)17-8-7-16-26-25(29)15-9-12-22-10-3-2-4-11-22/h2-6,10-11,13-14H,7-9,12,15-21H2,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
12n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor of rat hippocampus using [3H]-8-hydroxy-2-(di-n-propylamine) tetralin (8-OH-DPAT) as a radio...


J Med Chem 34: 2633-8 (1991)


BindingDB Entry DOI: 10.7270/Q2833R0C
More data for this
Ligand-Target Pair