BDBM50302880 CHEMBL571459::N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ccccc43)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key InChIKey=JBIBSZVZIAZPBO-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50302880   

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

Curated by ChEMBL
LigandPNGBDBM50302880(N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-t...)
Affinity DataIC50: 60nMAssay 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:
8/30/2010
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50302880(N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-t...)
Affinity DataIC50: 792nMAssay 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:
8/30/2010
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50302880(N-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-t...)
Affinity DataKi:  46nMAssay Description:Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed