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PubMed code 26367450

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 type 1A


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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Article
PubMed
0.0910n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.003
BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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Article
PubMed
0.150n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.003
BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50127639
PNG
(CHEMBL3628489)
Show SMILES COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H15NO4/c1-9(16)15-6-5-10-7-14(17)19-13-4-3-11(18-2)8-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
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3.40n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.003
BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM50127639
PNG
(CHEMBL3628489)
Show SMILES COc1ccc2oc(=O)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H15NO4/c1-9(16)15-6-5-10-7-14(17)19-13-4-3-11(18-2)8-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
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Article
PubMed
13n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...


Eur J Med Chem 103: 370-3 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.003
BindingDB Entry DOI: 10.7270/Q2NK3GVH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%