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BDBM50188394 (+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)acetamide::CHEMBL210791::N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)acetamide

SMILES: COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1

InChI Key: InChIKey=VGEJQAGYVJVBQV-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50188394   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.270n/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))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.410n/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))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.5n/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))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
PDB

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1.22n/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
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
PDB

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5.48n/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
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
PDB

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KEGG

UniProtKB/SwissProt

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UniChem
Article
PubMed
7.71n/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