null

SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1

InChI Key InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N

PDB links: 9 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 233 hits for monomerid = 9019   

TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930S90PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.0823nMAssay Description:Binding affinity against human Melatonin receptor type 1A (MT1)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D799S6PubMedDrugBank
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Takeda Chemical Industries, Ltd.

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J102HGPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2CDGPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3GVHPubMedDrugBank
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Takeda Chemical Industries, Ltd.

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.0915nMAssay Description:Inhibition of Vascular endothelial growth factor receptor 2 (KDR)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FN18CTDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2930S90PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2V69HX5PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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 radioliga...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2Q52P0WPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1SZSPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z03CZJPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.130nMAssay Description:Binding affinity of the compound against human Melatonin receptor type 1A by displacement of [125I]-iodomelatonin stably expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q208659RDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P272WNPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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 ra...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8KDCPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60QNKPubMedDrugBank
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Takeda Chemical Industries, Ltd.

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.140nMAssay Description:Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q28G8NB9PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.140nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24B314NPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M32ZJRPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2CDGPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3GVHPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.166nMAssay Description:Binding Affinity (pKi) towards human Melatonin receptor type 1AMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DN47T2PubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.174nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z323P9PubMedDrugBank
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZS307HPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.180nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2416VKFPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70K32PubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.180nMAssay Description:Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70K32PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z03CZJPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.190nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.195nMAssay Description:Binding affinity against human Melatonin receptor type 1B (MT2)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2D799S6PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20Z72JXPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BZ65Q4PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25T3KFFDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QJ7JM0PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.204nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation an...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70K32PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.204nMAssay Description:Displacement of [125I]iodomelatonin from human MT1 receptor expressed in rat NIH/3T3 cell membranes incubated for 90 mins by Cheng-Prusoff equation a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GX4F6VPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.210nMAssay Description:Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028RVNPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.210nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2PN3PubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.210nMAssay Description:Displacement of 2-[125l]-lodomelatonin from human MT2 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7M2BPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.220nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VG9PubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.230nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P8WXKPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.230nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VM4F3TPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.230nMAssay Description:Binding affinity of the compound against human Melatonin receptor type 1B by displacement of [125I]-iodomelatonin stably expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q208659RDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMAssay Description:Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M32ZJRPubMedDrugBank
TargetMelatonin receptor type 1A(Sheep)
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P8WXKPubMed
TargetMelatonin receptor type 1A(GUINEA PIG)
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2028RVNPubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2PN3PubMedDrugBank
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMAssay Description:Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cell membrane incubated for 150 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7M2BPubMedDrugBank
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Duquesne University

Curated by ChEMBL
LigandPNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20G3HQ6PubMedDrugBank
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Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 9019   

CellQuinone Reductase 2 (QR2)(Homo sapiens (Human))
University of Illinois at Chicago

SyringePNGBDBM9019(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
ITC DataΔG°: -8.06kcal/mole −TΔS°: 2.38kcal/mole ΔH°: -10.4kcal/mole logk: 7.14E+5
pH: 7.5 T: 25.00°C