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SMILES: CCCC(=O)NCCn1ccc2ccc(OC)cc12

InChI Key: InChIKey=IUOPELWMBICPHG-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50471130   
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 type 1A/1B


(Homo sapiens (Human))
BDBM50471130
PNG
(CHEMBL291798)
Show SMILES CCCC(=O)NCCn1ccc2ccc(OC)cc12
Show InChI InChI=1S/C15H20N2O2/c1-3-4-15(18)16-8-10-17-9-7-12-5-6-13(19-2)11-14(12)17/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligand


J Med Chem 40: 2003-10 (1997)


Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471130
PNG
(CHEMBL291798)
Show SMILES CCCC(=O)NCCn1ccc2ccc(OC)cc12
Show InChI InChI=1S/C15H20N2O2/c1-3-4-15(18)16-8-10-17-9-7-12-5-6-13(19-2)11-14(12)17/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 2003-10 (1997)


Article DOI: 10.1021/jm960653j
BindingDB Entry DOI: 10.7270/Q2CR5X2K
More data for this
Ligand-Target Pair