BDBM50342626 CHEMBL1770716::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxamide

SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)C(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F

InChI Key InChIKey=ULCGVMPPRBYWMX-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 = 50342626   

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

Curated by ChEMBL
LigandPNGBDBM50342626(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluo...)
Affinity DataIC50: 0.940nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342626(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluo...)
Affinity DataIC50: 4nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50342626(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluo...)
Affinity DataKi:  0.610nMAssay Description:Displacement of [125I]-CGRP from human recombinant CGRP receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed