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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50118439'   
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))
BDBM50118439
PNG
(CHEMBL134875 | N-[2-(6-Isopropoxy-indan-1-yl)-ethy...)
Show SMILES CCC(=O)NCCC1CCc2ccc(OC(C)C)cc12
Show InChI InChI=1S/C17H25NO2/c1-4-17(19)18-10-9-14-6-5-13-7-8-15(11-16(13)14)20-12(2)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/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