BDBM50091323 CHEMBL3582243

SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=O

InChI Key InChIKey=REMZATIPDXZDEV-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50091323   

TargetCytochrome P450 3A4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 2.74E+3nMAssay Description:Inhibition of human recombinant CYP3A4 using testosterone as substrate after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP2D6 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 1.98E+4nMAssay Description:Inhibition of human recombinant CYP2C19 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 8.54E+3nMAssay Description:Inhibition of human recombinant CYP2C9 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP1A2 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091323(CHEMBL3582243)
Affinity DataIC50: 4.78E+3nMAssay Description:Inhibition of human recombinant CYP3A4 using midazolam as substrate after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2016
Entry Details Article
PubMed