BDBM50177015 CHEMBL3814206::US10144715, Compound 19-1

SMILES CC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O

InChI Key InChIKey=FPVIRRAMNBCEDK-KRWDZBQOSA-N

Data  7 KI  12 IC50  6 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50177015   

TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataKi:  3nMAssay Description:Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]TO901317 from LXRbeta ligand binding domain (unknown origin) after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataKi:  81nMAssay Description:Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligan...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataKi:  81nMAssay Description:Displacement of [3H]TO901317 from LXRalpha ligand binding domain (unknown origin) after 30 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50:  2.94E+4nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataEC50:  244nMAssay Description:Agonist activity at human LXRalpha ligand binding domain(167 to 447 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter ge...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Vitae Pharmaceuticals

US Patent
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataEC50:  21nMAssay Description:Agonist activity at human LXRbeta ligand binding domain(155 to 460 residues) transfected in HEK293 cells after 16 hrs by Gal4-luciferase reporter gen...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of recombinant CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50:  610nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of RORalpha receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha/RXR-beta/RXR-gamma(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of RXR (unknown origin)More data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of Mineralocorticoid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha/LXR-beta(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataEC50:  4nMAssay Description:Agonist activity at LXR in human THP1 cells assessed as upregulation of ABCA1 gene expression after 24 hrs by RT-PCR analysisMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha/LXR-beta(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataEC50:  6nMAssay Description:Agonist activity at LXR in human HepG2 cells assessed as upregulation of SREBP1C gene expression after 24 hrs by RT-PCR analysisMore data for this Ligand-Target Pair