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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A/3B' and Ligand = 'BDBM50042718'   
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 3A/3B


(Rattus norvegicus-RAT)		BDBM50042718
PNG
(1-(3,4-Dihydro-5-thia-2a-aza-acenaphthylen-1-yl)-3...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCSc3cccc1c23
Show InChI InChI=1S/C17H17N3OS/c1-11-14(19-10-18-11)5-6-15(21)13-9-20-7-8-22-16-4-2-3-12(13)17(16)20/h2-4,9-10H,5-8H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 0.190n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on alpha2-adrenergic receptor using [3H]- clonidine as radioligand.

J Med Chem 36: 3693-9 (1994)


BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair