BindingDB logo
myBDB logout

BDBM50408632 CHEMBL138387

SMILES: COc1ccc2OCC(CCNC(C)=O)Cc2c1

InChI Key: InChIKey=VWOMZFOWULYKNW-UHFFFAOYNA-N

Data: 1 IC50

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 1 hit for monomerid = 50408632   
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))
BDBM50408632
PNG
(CHEMBL138387)
Show SMILES COc1ccc2OCC(CCNC(C)=O)Cc2c1
Show InChI InChI=1/C14H19NO3/c1-10(16)15-6-5-11-7-12-8-13(17-2)3-4-14(12)18-9-11/h3-4,8,11H,5-7,9H2,1-2H3,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair