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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 = 'BDBM50510900'   
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))		BDBM50510900
PNG
(CHEMBL4569899)
Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
Show InChI InChI=1S/C27H34N6O4/c1-36-23-9-8-20(19-24(23)37-21-6-2-3-7-21)18-22-25(34)33(27(35)30-22)13-5-12-31-14-16-32(17-15-31)26-28-10-4-11-29-26/h4,8-11,18-19,21H,2-3,5-7,12-17H2,1H3,(H,30,35)/b22-18-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 85n/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 cells incubated for 60 mins by microbeta2 scintillation cou...

Bioorg Med Chem 27: 4163-4173 (2019)


Article DOI: 10.1016/j.bmc.2019.07.046
BindingDB Entry DOI: 10.7270/Q2VT1WD5
More data for this
Ligand-Target Pair