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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50004518'   
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))
BDBM50004518
PNG
(CHEMBL2079256)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H36N4O3/c1-32-29(36)31(25-13-5-3-6-14-25,26-15-7-4-8-16-26)35(30(32)37)20-12-11-19-33-21-23-34(24-22-33)27-17-9-10-18-28(27)38-2/h3-10,13-18H,11-12,19-24H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation countin...


Eur J Med Chem 78: 324-39 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.065
BindingDB Entry DOI: 10.7270/Q2J104Q0
More data for this
Ligand-Target Pair