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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 = 'BDBM50056377'   
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))		BDBM50056377
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylsu...)
Show SMILES COc1ccccc1N1CCN(CCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O2S2/c1-29-18-8-4-3-7-17(18)27-12-10-26(11-13-27)14-15-30-23-24-21(28)20-16-6-2-5-9-19(16)31-22(20)25-23/h3-4,7-8H,2,5-6,9-15H2,1H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against radioligand [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat hippocampal membrane.

J Med Chem 40: 574-85 (1997)


Article DOI: 10.1021/jm950866t
BindingDB Entry DOI: 10.7270/Q2K64H6C
More data for this
Ligand-Target Pair