BDBM311159 (S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methylphenyl)pyridin-2-yl)acetamide::BDBM405999::BDBM50243381::US10155760, Example 7::US10723734, Example 7::US9902722, Example 7

SMILES CC(C)C[C@H](N)COc1ccc(cc1C)-c1ccnc(NC(C)=O)c1

InChI Key InChIKey=UZGBIRGBWRCWKF-SFHVURJKSA-N

Data  1 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 311159   

TargetAP2-associated protein kinase 1(Mus musculus)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataKi:  0.0800nMAssay Description:Displacement of 3H-LP-927443 from AAK1 in C57BL6 mouse brain homogenate assessed as inhibition constant incubated for 1 hr by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:Displacement of the 5-hydroxytryptamine 3 receptor ligand [3H]GR-65630 from rat brain cortical membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) incubated for 10 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:The assays were performed in U-bottom 384-well plates. The final assay volume was 30 Cl prepared from 15 μl additions of enzyme and substrates (...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of bacterially expressed GST-Xa-tagged human AAK1 using 5-FAM-labelled Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incubated for 3 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of full length human AAK1 expressed in HEK293F cells assessed as suppression of AP2 phosphorylation measured after 3 hrs by Western blot a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAP2-associated protein kinase 1(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311159((S)-N-(4-(4-((2-amino-4-methylpentyl)oxy)-3-methyl...)
Affinity DataIC50:  0.420nMAssay Description:The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent