BDBM50505787 CHEMBL4537998

SMILES Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1

InChI Key InChIKey=FMQWOAKTQPLQBR-UHFFFAOYSA-N

Data  22 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50505787   

TargetCytochrome P450 2C8(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 700nMAssay 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:
2/19/2021
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells at holding potential -80 mV by whole-cell voltage-clamp methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 4.40E+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:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
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:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate treated prior to substrate addition by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 2.00E+4nMAssay 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:
2/19/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bayer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50505787BDBM50505787(CHEMBL4537998)
Affinity DataIC50: 2.00E+4nMAssay 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:
2/19/2021
Entry Details Article
PubMed