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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50224431   

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

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))
Merck Research Laboratories

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))
Merck Research Laboratories

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))
Merck Research Laboratories

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