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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50343596'   
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))
BDBM50343596
PNG
(CHEMBL1774525 | N-{2-[7-(2-Methoxyphenyl)-1,6-dihy...)
Show SMILES COc1ccccc1C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21
Show InChI InChI=1S/C22H23NO3/c1-14(24)23-11-9-17-19(16-5-3-4-6-20(16)25-2)13-15-7-8-21-18(22(15)17)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting


J Med Chem 54: 3436-44 (2011)


Article DOI: 10.1021/jm200221q
BindingDB Entry DOI: 10.7270/Q2028RVN
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50343596
PNG
(CHEMBL1774525 | N-{2-[7-(2-Methoxyphenyl)-1,6-dihy...)
Show SMILES COc1ccccc1C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21
Show InChI InChI=1S/C22H23NO3/c1-14(24)23-11-9-17-19(16-5-3-4-6-20(16)25-2)13-15-7-8-21-18(22(15)17)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting


J Med Chem 54: 3436-44 (2011)


Article DOI: 10.1021/jm200221q
BindingDB Entry DOI: 10.7270/Q2028RVN
More data for this
Ligand-Target Pair