BindingDB logo
myBDB logout

BDBM50469988 CHEMBL419566

SMILES: COc1ccc2cccc(CCNC(=O)CN3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c2c1

InChI Key: InChIKey=AUINWEDCFOHWTR-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 = 50469988   
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))
BDBM50469988
PNG
(CHEMBL419566)
Show SMILES COc1ccc2cccc(CCNC(=O)CN3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c2c1
Show InChI InChI=1S/C29H37N3O5/c1-34-24-10-8-21-6-5-7-22(25(21)18-24)12-13-30-27(33)20-32-16-14-31(15-17-32)19-23-9-11-26(35-2)29(37-4)28(23)36-3/h5-11,18H,12-17,19-20H2,1-4H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.00000100n/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Binding affinity to melatonin receptor measured on ovine pars tuberalis membrane


J Med Chem 37: 3231-9 (1994)


BindingDB Entry DOI: 10.7270/Q2S75K1J
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50469988
PNG
(CHEMBL419566)
Show SMILES COc1ccc2cccc(CCNC(=O)CN3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)c2c1
Show InChI InChI=1S/C29H37N3O5/c1-34-24-10-8-21-6-5-7-22(25(21)18-24)12-13-30-27(33)20-32-16-14-31(15-17-32)19-23-9-11-26(35-2)29(37-4)28(23)36-3/h5-11,18H,12-17,19-20H2,1-4H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.99E+3n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane.


J Med Chem 37: 3231-9 (1994)


BindingDB Entry DOI: 10.7270/Q2S75K1J
More data for this
Ligand-Target Pair