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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 = 'BDBM50007176'   
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))
BDBM50007176
PNG
(2-{4-[4-(2-Nitro-phenyl)-piperazin-1-yl]-butyl}-is...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H24N4O4/c27-21-17-7-1-2-8-18(17)22(28)25(21)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-20(19)26(29)30/h1-4,7-10H,5-6,11-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50007176
PNG
(2-{4-[4-(2-Nitro-phenyl)-piperazin-1-yl]-butyl}-is...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C22H24N4O4/c27-21-17-7-1-2-8-18(17)22(28)25(21)12-6-5-11-23-13-15-24(16-14-23)19-9-3-4-10-20(19)26(29)30/h1-4,7-10H,5-6,11-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/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