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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM50327582'   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50327582
PNG
(6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O2/c30-26-24-18-22(11-10-21(24)19-27-26)31-17-4-3-12-28-13-15-29(16-14-28)25-9-5-7-20-6-1-2-8-23(20)25/h1-2,5-11,18H,3-4,12-17,19H2,(H,27,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.151n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50327582
PNG
(6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)iso...)
Show SMILES O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O2/c30-26-24-18-22(11-10-21(24)19-27-26)31-17-4-3-12-28-13-15-29(16-14-28)25-9-5-7-20-6-1-2-8-23(20)25/h1-2,5-11,18H,3-4,12-17,19H2,(H,27,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 5666-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.023
BindingDB Entry DOI: 10.7270/Q2HH6K9S
More data for this
Ligand-Target Pair