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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor' and Ligand = 'BDBM50093266'   
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))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
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Article
PubMed
0.0680n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
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Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
PDB

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Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
PDB

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Article
PubMed
0.450n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
PDB

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Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50093266
PNG
(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
Reactome pathway
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
4.07n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)


J Med Chem 43: 4051-62 (2000)


Article DOI: 10.1021/jm000922c
BindingDB Entry DOI: 10.7270/Q20Z72JX
More data for this
Ligand-Target Pair