BDBM311167 (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methoxypyridin-4-yl)benzonitrile::US10155760, Example 16::US10351563, Example 16::US10544120, Example 16::US10723734, Example 16::US10981910, Example 16::US9902722, Example 16

SMILES COc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(c1)C#N

InChI Key InChIKey=YKGQUBOYHDWACY-UHFFFAOYSA-N

Data  9 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 311167   

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
4/10/2019
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
10/26/2021
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
3/28/2021
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
11/1/2020
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
1/21/2020
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 6.60nMAssay 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
In Depth
Date in BDB:
6/12/2020
Entry Details
US Patent

TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 10nMAssay Description:Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAP2-associated protein kinase 1(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 100nMAssay Description:Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM311167(US10155760, Example 16 | (S)-2-((2-amino-4-methylp...)
Affinity DataIC50: 540nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BFC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed