BDBM106203 US9695174, I-1

SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O

InChI Key InChIKey=XDVXQQDQFWVCAU-UHFFFAOYSA-N

Data  9 IC50  1 Other

  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 10 hits for monomerid = 106203   

TargetCytochrome P450 1A2(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 1.54E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 600nMpH: 7.4 T: 2°CAssay Description:To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetATP-dependent translocase ABCB1(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 3.00E+4nMpH: 7.4 T: 2°CAssay Description:To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 2C8(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 3.00E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 2C9(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DatapH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 2C19(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 1.85E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 2D6(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 3.00E+5nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 3A4/3A5(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 3.00E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 600nMAssay Description:Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescenc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM106203(US9695174, I-1)
Affinity DataIC50: 610nMAssay Description:Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scinti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed