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BDBM50188423 CHEMBL206472::beta,beta-dimethylmelatonin

SMILES: COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O

InChI Key: InChIKey=OMYMGFDKAPBSGB-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50188423   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50188423
PNG
(CHEMBL206472 | beta,beta-dimethylmelatonin)
Show SMILES COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.12n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188423
PNG
(CHEMBL206472 | beta,beta-dimethylmelatonin)
Show SMILES COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.75n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair