BDBM50247653 CHEMBL4085181

SMILES CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1

InChI Key InChIKey=ILFIXUVIBJYIDE-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50247653   

TargetCytochrome P450 2B6(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Hec Pharma Group

Curated by ChEMBL
LigandPNGBDBM50247653(CHEMBL4085181)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by manual-patch-clamp electrophysiology assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed