BDBM50086029 CHEMBL10099::N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquinolin-12-yl)-ethyl]-butyramide

SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12

InChI Key InChIKey=QCRRNTLOOBOZSX-UHFFFAOYSA-N

Data  6 KI

  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 6 hits for monomerid = 50086029   

TargetMelatonin receptor type 1B(Human)
The First Affiliated Hospital of China Medical University

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  0.0500nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMelatonin receptor type 1B(Human)
The First Affiliated Hospital of China Medical University

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMelatonin receptor type 1B(Human)
The First Affiliated Hospital of China Medical University

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  0.200nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetMelatonin receptor type 1A(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  4.07nMAssay Description:Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetMelatonin receptor type 1A(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  4.10nMAssay Description:Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetMelatonin receptor type 1A(Human)
King'S College London

Curated by ChEMBL
LigandPNGBDBM50086029(N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquino...)
Affinity DataKi:  4.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed