BDBM36810 BMS753::US9963439, BMS753

SMILES CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=KFBPBWUZXBYJDG-UHFFFAOYSA-N

Data  2 KI  2 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 = 36810   

TargetRetinoic acid receptor alpha [200-419]/gamma [183-417](Homo sapiens (Human))
Institute Of Genetics And Molecular And Cellular Biology (Igbmc)

LigandPNGBDBM36810(BMS753 | US9963439, BMS753)
Affinity DataKi:  1nM ΔG°:  -11.4kcal/molepH: 8.0 T: 2°CAssay Description:Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor alpha [200-419](Homo sapiens (Human))
Institute Of Genetics And Molecular And Cellular Biology (Igbmc)

LigandPNGBDBM36810(BMS753 | US9963439, BMS753)
Affinity DataKi:  2nM ΔG°:  -11.0kcal/molepH: 8.0 T: 2°CAssay Description:Competitive assay were perform with 5nM tritiated all-trans retinoic acid (t-RA; 5nM) with or without 100-fold excess of non-radioactive t-RA (500nM)...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
LigandPNGBDBM36810(BMS753 | US9963439, BMS753)
Affinity DataIC50:  2.90E+4nMAssay 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
LigandPNGBDBM36810(BMS753 | US9963439, BMS753)
Affinity DataIC50:  4.02E+4nMAssay 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