new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50136402'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50136402
PNG
(CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50136402
PNG
(CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells


Bioorg Med Chem Lett 13: 4381-4 (2003)


BindingDB Entry DOI: 10.7270/Q2X066FK
More data for this
Ligand-Target Pair