BDBM50296786 (S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]quinolin-5(1H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl)acetamide::CHEMBL563727

SMILES CN1C(=O)Cc2cn(CC(=O)Nc3ccc4C[C@@]5(Cc4c3)C(=O)Nc3ncccc53)c3cccc1c23

InChI Key InChIKey=ZGXXRWFKEBLBBN-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 3 hits for monomerid = 50296786   

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296786((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296786((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...)
Affinity DataIC50: 4.10nMAssay Description:Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50296786((S)-2-(1-methyl-2-oxo-2,3-dihydropyrrolo[4,3,2-de]...)
Affinity DataIC50: 67nMAssay Description:Antagonist activity at human CLR expressed in HEK293 cells coexpressing human RAMP1 assessed as inhibition of human CGRPalpha-induced cAMP production...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed