BDBM50224431 CHEMBL236593::MK-0974::N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide::Telcagepant

SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F

InChI Key InChIKey=CGDZXLJGHVKVIE-DNVCBOLYSA-N

Data  11 KI  11 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50224431   

TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.770nMAssay Description:Antagonist activity at human CGRP receptorMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1(Homo sapiens (Human))
Biohaven Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.770nMAssay Description:Inhibition of human CLR/RAMP1More data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.770nMAssay Description:Binding affinity to human CGRP receptorMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.770nMAssay Description:Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.770nMAssay Description:Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.780nMAssay Description:Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.800nMAssay Description:Displacement of [125I]human CGRP from human CLR expressed in HEK293 cells coexpressing human RAMP1More data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.800nMAssay Description:Displacement of [125I]-CGRP from human recombinant CGRP receptorMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  0.800nMAssay 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
TargetCalcitonin gene-related peptide 1(RAT)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of rat CGRPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcitonin gene-related peptide 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2nMAssay 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
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  11nMAssay 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
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assayMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  11nMAssay 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
TargetCalcitonin gene-related peptide 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2.20nMAssay Description:Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing CLR/RAMP1 assessed as inhibition of CGRP-stimulated cAMP production af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2.20nMAssay Description:Antagonist activity against human CGRP receptor by cell based cAMP accumulation assayMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  11nMAssay 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
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2.40nMAssay 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
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity against human CGRP receptor in presence of 50% human serum by cell based cAMP accumulation assayMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataKd:  1.90nMAssay Description:Reversible saturable binding affinity to human CGRP receptor using [3H]-labeled compoundMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production in presence of 50% human serumMore data for this Ligand-Target Pair
TargetCalcitonin gene-related peptide type 1 receptor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM50224431(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Affinity DataIC50:  2.20nMAssay Description:Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP productionMore data for this Ligand-Target Pair