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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin 1C' and Ligand = 'BDBM50423061'   
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
Melatonin 1C


(Xenopus)
BDBM50423061
PNG
(CHEMBL243003)
Show SMILES CCCC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.04E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic activity after 60 mins


Eur J Med Chem 42: 1004-13 (2007)


Article DOI: 10.1016/j.ejmech.2007.01.005
More data for this
Ligand-Target Pair