BDBM50548647 CHEMBL4746351

SMILES O=C(C[C@@H]1Cc2cc(Cl)c3[nH]ncc3c2CN(CC(F)(F)F)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

InChI Key InChIKey=KIHBNAPZVSKRKC-UHFFFAOYSA-N

Data  2 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 4 hits for monomerid = 50548647   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50548647BDBM50548647(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
LigandChemical structure of BindingDB Monomer ID 50548647BDBM50548647(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
LigandChemical structure of BindingDB Monomer ID 50548647BDBM50548647(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
LigandChemical structure of BindingDB Monomer ID 50548647BDBM50548647(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