BDBM50586189 CHEMBL5086239

SMILES C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2cnccc2[nH]1

InChI Key InChIKey=JSRSTHPRYBNVDX-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50586189   

TargetCytochrome P450 1A2(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 590nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 450nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 860nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
LigandPNGBDBM50586189(CHEMBL5086239)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human ERG by patch-clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed