BDBM50358201 CHEMBL1921976::US9611270, orteronel

SMILES CNC(=O)c1ccc2cc(ccc2c1)[C@@]1(O)CCn2cncc12

InChI Key InChIKey=OZPFIJIOIVJZMN-UHFFFAOYSA-N

Data  16 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50358201   

TargetCytochrome P450 2C9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2C9 (Arg) assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 270nMAssay Description:Inhibition of human CYP17A1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataKd:  40nMAssay Description:Binding affinity human CYP17A1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSteroid 21-hydroxylase(Human)
University of Kansas

US Patent
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 4nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 4nMAssay Description:Complementary assays were utilized for the quantitative comparison of compound activity data for CYP17A1 and CYP21A2. Progesterone is a substrate for...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2E1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2E1 assessed as 4-nitrophenol hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2D6 assessed as (+)-bufuralol 1'-hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2C19 assessed as (S)-mephenytoin 4'-hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP3A4 assessed as testosterone 6beta-hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C8(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2C8 assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B6(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2B6 assessed as ethoxycoumarin O-deethylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP1A2 assessed as 7-ethoxyresorufin O-deethylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 19nMAssay Description:Inhibition of 17,20-lyase activity of human CYP17A1More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 48nMAssay Description:Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2C9 (Arg) assessed as Tolbutamide hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2A6(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50358201(CHEMBL1921976 | US9611270, orteronel)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human B-lymphoblastoid cell microsomal CYP2A6 assessed as coumarin 7-hydroxylation preincubated for 5 mins with substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed