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

InChI Key: InChIKey=LFXCOQULPDTFNI-UHFFFAOYSA-N

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50471137   
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))
BDBM50471137
PNG
(CHEMBL33557)
Show SMILES CCC(=O)NCCn1ccc2ccc(OC)cc12
Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-7-9-16-8-6-11-4-5-12(18-2)10-13(11)16/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,17)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.90n/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))
BDBM50471137
PNG
(CHEMBL33557)
Show SMILES CCC(=O)NCCn1ccc2ccc(OC)cc12
Show InChI InChI=1S/C14H18N2O2/c1-3-14(17)15-7-9-16-8-6-11-4-5-12(18-2)10-13(11)16/h4-6,8,10H,3,7,9H2,1-2H3,(H,15,17)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10n/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