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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50343604'   
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))
BDBM50343604
PNG
(CHEMBL1774517 | N-Ethyl-N'-[2-(7-isopropyl-1,6-dih...)
Show SMILES CCNC(=O)NCCC1=C(Cc2ccc3OCCc3c12)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-4-20-19(22)21-9-7-14-16(12(2)3)11-13-5-6-17-15(18(13)14)8-10-23-17/h5-6,12H,4,7-11H2,1-3H3,(H2,20,21,22)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0840n/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))
BDBM50343604
PNG
(CHEMBL1774517 | N-Ethyl-N'-[2-(7-isopropyl-1,6-dih...)
Show SMILES CCNC(=O)NCCC1=C(Cc2ccc3OCCc3c12)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-4-20-19(22)21-9-7-14-16(12(2)3)11-13-5-6-17-15(18(13)14)8-10-23-17/h5-6,12H,4,7-11H2,1-3H3,(H2,20,21,22)
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