BDBM50091324 CHEMBL3582240

SMILES [H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(N(C2CCCCC2)C1=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@]2([H])CC[C@@]31C

InChI Key InChIKey=KHPZRFSKOJGJEJ-YYHAPLCHSA-N

Data  7 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 7 hits for monomerid = 50091324   

TargetCytochrome P450 3A4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
Affinity DataIC50:  932nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
Affinity DataIC50:  8.11E+3nMAssay Description:Inhibition of human recombinant CYP2C19 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
Affinity DataIC50:  2.54E+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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant CYP2C9 after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of human ERG expressed in CHO cells assessed as whole cell current by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50091324(CHEMBL3582240)
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 DepthDetails ArticlePubMed