BDBM50037242 CHEMBL323332::N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide::N-[2-(5-Methoxy-benzofuran-3-yl)-ethyl]-acetamide

SMILES COc1ccc2occ(CCNC(C)=O)c2c1

InChI Key InChIKey=BTVRPXLAXZPZPV-UHFFFAOYSA-N

Data  6 KI  5 IC50  1 Kd

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50037242   

TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.150nMAssay Description:Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.150nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.150nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.340nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.340nMAssay Description:Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.340nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataIC50: 0.600nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataIC50: 1.70nMAssay Description:Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane.More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataIC50: 1.58nMAssay Description:Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataIC50: 64.6nMAssay Description:Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKd:  0.859nMAssay Description:Binding affinity to melatonin receptor measured on ovine pars tuberalis membraneMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataIC50: 0.700nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair