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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 = 'BDBM50154705'   
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


(Homo sapiens (Human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
272n/an/an/an/an/an/an/an/a



Normandie Univ

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT1A receptor (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111705
BindingDB Entry DOI: 10.7270/Q2377D11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50154705
PNG
(4-Methoxy-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H29N3O4S/c1-27-18-8-10-19(11-9-18)29(25,26)22-12-5-13-23-14-16-24(17-15-23)20-6-3-4-7-21(20)28-2/h3-4,6-11,22H,5,12-17H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cell membrane


Bioorg Med Chem 16: 5405-12 (2008)


Article DOI: 10.1016/j.bmc.2008.04.023
BindingDB Entry DOI: 10.7270/Q2RX9BVH
More data for this
Ligand-Target Pair