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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50188395'   
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))
BDBM50188395
PNG
(CHEMBL377809 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CCC2)CCC1
Show InChI InChI=1S/C19H24N2O2/c1-23-14-6-7-17-15(10-14)16(11-20-17)19(8-3-9-19)12-21-18(22)13-4-2-5-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3,(H,21,22)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
62.2n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188395
PNG
(CHEMBL377809 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CCC2)CCC1
Show InChI InChI=1S/C19H24N2O2/c1-23-14-6-7-17-15(10-14)16(11-20-17)19(8-3-9-19)12-21-18(22)13-4-2-5-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
493n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair