BDBM50342639 CHEMBL1770729::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetrahydrofuran-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide

SMILES CC1(CCCO1)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21

InChI Key InChIKey=CAMDENMMQUEDNW-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 = 50342639   

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

Curated by ChEMBL
LigandPNGBDBM50342639(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetra...)
Affinity DataIC50: 0.210nMAssay 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
LigandPNGBDBM50342639(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetra...)
Affinity DataIC50: 0.760nMAssay 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
LigandPNGBDBM50342639(N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methyltetra...)
Affinity DataKi:  0.0360nMAssay 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