BDBM50081274 CHEMBL3422004::US10544150, Compound 39

SMILES Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1cccc(n1)C(F)(F)F

InChI Key InChIKey=YEIDLEQRGTVNQJ-UHFFFAOYSA-N

Data  2 KI  6 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 8 hits for monomerid = 50081274   

TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataKi:  398nMAssay Description:Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataKi:  750nMAssay Description:The ability of the compounds of the invention to inhibit the binding of the NK-3 receptor selective antagonist SB222200 was assessed by an in vitro r...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C19 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50:  398nMAssay Description:Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as inhibition of NKB-induced Ca2+ signaling by aequorin Ca2+ biolumines...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50081274(CHEMBL3422004 | US10544150, Compound 39)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin) by luciferase reporter assay in presence of NADPH regeneration systemMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed