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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50118442'   
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 receptor


(Homo sapiens (Human))
BDBM50118442
PNG
(2,2,2-Trifluoro-N-(2-indan-1-yl-ethyl)-acetamide |...)
Show SMILES FC(F)(F)C(=O)NCCC1CCc2ccccc12
Show InChI InChI=1S/C13H14F3NO/c14-13(15,16)12(18)17-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2,(H,17,18)
PDB

KEGG

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PC cid
PC sid
UniChem

Patents

PubMed
12n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.


J Med Chem 45: 4212-21 (2002)


BindingDB Entry DOI: 10.7270/Q2J102HG
More data for this
Ligand-Target Pair