BDBM50548647 CHEMBL4746351

SMILES FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21

InChI Key InChIKey=KIHBNAPZVSKRKC-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50548647   

TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50548647(CHEMBL4746351)
Affinity DataKi:  0.0460nMAssay Description:Displacement of [125I]CGRP from human CGRP receptor in human SK-N-MC cells measured after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50548647(CHEMBL4746351)
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human CGRP receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50548647(CHEMBL4746351)
Affinity DataIC50: 0.270nMAssay Description:Antagonist activity at human CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-induced cAMP productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50548647(CHEMBL4746351)
Affinity DataIC50: 100nMAssay Description:Time dependent inhibition of CYP3A4 (unknown origin) measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed