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BDBM50408572 CHEMBL35017

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

InChI Key: InChIKey=XGXFTHBMSWQXBD-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408572   
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))
BDBM50408572
PNG
(CHEMBL35017)
Show SMILES CCCCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C19H25NO2/c1-3-4-5-9-19(21)20-13-12-16-8-6-7-15-10-11-17(22-2)14-18(15)16/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.80n/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))
BDBM50408572
PNG
(CHEMBL35017)
Show SMILES CCCCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C19H25NO2/c1-3-4-5-9-19(21)20-13-12-16-8-6-7-15-10-11-17(22-2)14-18(15)16/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+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