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BDBM50072661 CHEMBL111880::N-(3-Methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylmethyl)-propionamide

SMILES: CCC(=O)NCC1CCCCc2ccc(OC)cc12

InChI Key: InChIKey=SDNRTJRJDCFHCE-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50072661   
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


(Chick)		BDBM50072661
PNG
(CHEMBL111880 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...)
Show SMILES CCC(=O)NCC1CCCCc2ccc(OC)cc12
Show InChI InChI=1S/C16H23NO2/c1-3-16(18)17-11-13-7-5-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 29n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand

Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair