BDBM9019 CHEMBL45::Melatonin::N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILES CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
InChI Key InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 233 hits for monomerid = 9019
Affinity DataIC50: 0.0170nMAssay Description:Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.More data for this Ligand-Target Pair
Affinity DataEC50: 0.0220nMAssay Description:Agonist activity at human MT1 expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins by AlphaS...More data for this Ligand-Target Pair
Affinity DataEC50: 0.0260nMAssay Description:Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...More data for this Ligand-Target Pair
Affinity DataEC50: 0.0690nMAssay Description:Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assayMore data for this Ligand-Target Pair
Affinity DataEC50: 0.0692nMAssay Description:Agonist activity at human melatonin MT1 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumula...More data for this Ligand-Target Pair
Affinity DataEC50: 0.0700nMAssay Description:Agonist activity at human MT2 receptor expressed in CHO cells assessed as increase in cAMP production incubated at 37 degreeC by fluorometric methodMore data for this Ligand-Target Pair
Affinity DataEC50: 0.0794nMAssay Description:Effect on pigment aggregation in Xenopus laevis melanophoresMore data for this Ligand-Target Pair
Affinity DataKi: 0.0800nMAssay Description:Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.0823nMAssay Description:Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin receptor type 1A (MT1) expressed in CHO cells.More data for this Ligand-Target Pair
Affinity DataKi: 0.0823nMAssay Description:Binding affinity against human Melatonin receptor type 1A (MT1)More data for this Ligand-Target Pair
Affinity DataKi: 0.0910nMAssay Description:Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
Affinity DataKi: 0.0910nMAssay Description:Displacement of 2-[125I]iodomelatonin from human recombinant MT1 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...More data for this Ligand-Target Pair
Affinity DataKi: 0.0915nMAssay Description:Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]- melatonin radioligand binding assayMore data for this Ligand-Target Pair
Affinity DataKd: 0.0915nMAssay Description:Binding affinity to melatonin receptor measured on ovine pars tuberalis membraneMore data for this Ligand-Target Pair
Affinity DataEC50: 0.0980nMAssay Description:Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assayMore data for this Ligand-Target Pair
Affinity DataEC50: 0.110nMAssay Description:Agonist activity at human MT1 receptor expressed in CHO cells assessed as increase in cAMP levels incubated at 28 degreeC by cellular dielectric spec...More data for this Ligand-Target Pair
Affinity DataIC50: 0.110nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in CHO cells measured after 60 mins by scintillation counting met...More data for this Ligand-Target Pair
Affinity DataIC50: 0.110nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant ML1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.120nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.120nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.120nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
Affinity DataKi: 0.120nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]iodomelatonin as radioligan...More data for this Ligand-Target Pair
Affinity DataKi: 0.120nMAssay Description:Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.130nMAssay Description:Binding affinity against human Melatonin receptor type 1A by displacement of [125I]iodomelatonin stably expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.130nMAssay Description:Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.140nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 0.140nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.140nMAssay Description:Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.140nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as rad...More data for this Ligand-Target Pair
Affinity DataKi: 0.141nMAssay Description:Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.150nMAssay Description:Displacement of 2-[125I]iodomelatonin from human recombinant MT2 expressed in CHO cell membranes incubated for 60 mins by liquid scintillation spectr...More data for this Ligand-Target Pair
Affinity DataKi: 0.150nMAssay Description:Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.157nMAssay Description:Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane.More data for this Ligand-Target Pair
Affinity DataKi: 0.166nMAssay Description:Binding Affinity (pKi) towards human Melatonin receptor type 1AMore data for this Ligand-Target Pair
Affinity DataKi: 0.174nMAssay Description:Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor stably expressing in human HEK293 cell membranes under dark condition by radi...More data for this Ligand-Target Pair
Affinity DataEC50: 0.174nMAssay Description:Agonist activity at human melatonin MT2 receptor stably expressing in human HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumula...More data for this Ligand-Target Pair
Affinity DataKi: 0.176nMAssay Description:Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2More data for this Ligand-Target Pair
Affinity DataKi: 0.180nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting methodMore data for this Ligand-Target Pair
Affinity DataKi: 0.180nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Affinity DataKi: 0.180nMAssay Description:Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
Affinity DataKi: 0.195nMAssay Description:Binding affinity against human Melatonin receptor type 1B (MT2)More data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK293 cells (2-[125I]iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
Affinity DataIC50: 0.200nMAssay Description:Binding affinity to human MT1 receptorMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 1 hit for monomerid = 9019
ITC DataΔG°: -8.06kcal/mole −TΔS°: 2.38kcal/mole ΔH°: -10.4kcal/mole logk: 7.14E+5
pH: 7.5 T: 25.00°C
pH: 7.5 T: 25.00°C

3D Structure (crystal)