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SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl

InChI Key InChIKey=LUINDDOUWHRIPW-UHFFFAOYSA-N

  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 23 hits for monomerid = 50043289   

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

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.140nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay 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/Q2H70K32PubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in African green monkey COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q218381KPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-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/Q20G3HQ6PubMed
TargetMelatonin receptor type 1A(Sheep)
Massachusetts General Hospital

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-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/Q27P8WXKPubMed
TargetMelatonin receptor type 1A/1B/1C(Gallus gallus)
University of Groningen

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.340nMAssay Description:Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2RJKPubMed
TargetMelatonin receptor type 1A(GUINEA PIG)
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.460nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.660nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GH9GGMPubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.670nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor type 1A(GUINEA PIG)
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.740nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.990nMAssay Description:Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin (100 pM) as labelled ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5X2KPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  0.990nMAssay Description:Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7ZCKPubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  1.86nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29885KWPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P8WXKPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  2.20nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain as 1/KaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP84VPPubMed
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  2.69nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PK0DPMPubMed
TargetMelatonin receptor(RABBIT)
Rowett Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1J42PubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  6.78nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GH9GGMPubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H70K32PubMed
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in African green monkey COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q218381KPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD7ZCKPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataIC50: 0.0400nMAssay Description:Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2RJKPubMed
TargetMelatonin receptor type 1A/1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino

Curated by ChEMBL
LigandPNGBDBM50043289(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)copy SMILEScopy InChI
Affinity DataIC50: 3.60nMAssay Description:Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligandMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CR5X2KPubMed