BDBM50157724 CHEMBL3787564::US9963439, Compound B

SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)COc1ccc(cc1)C(O)=O

InChI Key InChIKey=ZEBPEUMIMQCCQD-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50157724   

TargetCytochrome P450 26B1(Homo sapiens (Human))
The University Of Montana

Curated by ChEMBL
LigandPNGBDBM50157724(CHEMBL3787564 | US9963439, Compound B)
Affinity DataIC50:  930nMAssay Description:Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50157724(CHEMBL3787564 | US9963439, Compound B)
Affinity DataIC50:  1.01E+3nMAssay Description:Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 26A1(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50157724(CHEMBL3787564 | US9963439, Compound B)
Affinity DataIC50:  4.40E+3nMAssay Description:Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 26A1(Homo sapiens (Human))
University Of Washington Through Its Center For Commercialization

US Patent
LigandPNGBDBM50157724(CHEMBL3787564 | US9963439, Compound B)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed