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BDBM50042718 1-(3,4-Dihydro-5-thia-2a-aza-acenaphthylen-1-yl)-3-(5-methyl-1H-imidazol-4-yl)-propan-1-one::CHEMBL122904

SMILES: Cc1nc[nH]c1CCC(=O)c1cn2CCSc3cccc1c23

InChI Key: InChIKey=LCIAVBFTFCKOFF-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042718   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(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
Article
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)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair