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BDBM50408556 CHEMBL37771

SMILES: CCC(=O)NCCc1cccc2ccc(OC)cc12

InChI Key: InChIKey=AGFPIMUSQHDOJP-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408556   
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))
BDBM50408556
PNG
(CHEMBL37771)
Show SMILES CCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
BindingDB Entry DOI: 10.7270/Q2B85BB0
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408556
PNG
(CHEMBL37771)
Show SMILES CCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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