BDBM50400098 CHEMBL2178422

SMILES N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F

InChI Key InChIKey=KRNAOFGYEFKHPB-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 EC50

  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 = 50400098   

TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50400098(CHEMBL2178422)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using benzoylresorufin as substrate after 45 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50400098(CHEMBL2178422)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of human recombinant CYP3A4 using 7-benzyloxy-4-trifluoromethylcoumarin as substrate after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50400098(CHEMBL2178422)
Affinity DataEC50:  0.140nMAssay Description:Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 15 mins prior ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCalcitonin gene-related peptide type 1 receptor(Human)
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM50400098(CHEMBL2178422)
Affinity DataKi:  0.0270nMAssay Description:Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells after 2 hrs by gamma scintillation counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed