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BDBM50027444 CHEMBL3329384

SMILES: CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12

InChI Key: InChIKey=LZIRRRVTYSMSIN-UHFFFAOYNA-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 = 50027444   
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))
BDBM50027444
PNG
(CHEMBL3329384)
Show SMILES CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12
Show InChI InChI=1/C19H25NO4/c1-3-24-18(22)9-8-17(21)20-10-4-5-14-11-13-6-7-15(23-2)12-16(13)19(14)20/h6-7,12,14,19H,3-5,8-11H2,1-2H3
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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting


Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50027444
PNG
(CHEMBL3329384)
Show SMILES CCOC(=O)CCC(=O)N1CCCC2Cc3ccc(OC)cc3C12
Show InChI InChI=1/C19H25NO4/c1-3-24-18(22)9-8-17(21)20-10-4-5-14-11-13-6-7-15(23-2)12-16(13)19(14)20/h6-7,12,14,19H,3-5,8-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting


Eur J Med Chem 86: 700-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.038
BindingDB Entry DOI: 10.7270/Q2Z60QNK
More data for this
Ligand-Target Pair