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 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 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 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