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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50177015   

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
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50177015(CHEMBL3814206 | US10144715, Compound 19-1)
Affinity DataIC50:  608nMAssay Description:Inhibition of CYP2C9 (unknown origin)More 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:  2.95E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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