BDBM50540671 CHEMBL4635907

SMILES C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1nccc2ccccc12)C1CCCCC1

InChI Key InChIKey=JRRQPIHTVQSXCU-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50540671   

TargetCytochrome P450 2D6(Human)
Irbm

Curated by ChEMBL
LigandPNGBDBM50540671(CHEMBL4635907)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human microsomal CYP2D6 expressed in baculovirus infected insect cells using luciferin-ME as substrate preincubated with enzyme/substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Irbm

Curated by ChEMBL
LigandPNGBDBM50540671(CHEMBL4635907)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human microsomal CYP1A2 expressed in baculovirus infected insect cells using luciferin-1A2 as substrate preincubated with enzyme-substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
LigandPNGBDBM50540671(CHEMBL4635907)
Affinity DataIC50: 3.00E+4nMAssay Description:Displacement of Tracer Red from human ERG measured after 4 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Irbm

Curated by ChEMBL
LigandPNGBDBM50540671(CHEMBL4635907)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human microsomal CYP3A4 expressed in baculovirus infected insect cells using luciferin-IPA as substrate preincubated with enzyme/substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed