BDBM311269 (S)-1-((2′-(difluoromethyl)-4-methyl-[2,4′-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine::US10155760, Example 125::US9902722, Example 125

SMILES CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(c1)C(F)F

InChI Key InChIKey=VYPORTDNBOGDIG-IBGZPJMESA-N

Data  1 KI  5 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 6 hits for monomerid = 311269   

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

Curated by ChEMBL
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataKi:  0.300nMAssay 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 ArticlePubMed

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

US Patent
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataIC50:  1.60nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataIC50: >2.00E+4nMAssay 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 ArticlePubMed

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

US Patent
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataIC50:  12nMAssay 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 ArticlePubMed

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

US Patent
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataIC50:  1.60nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent


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

US Patent
LigandPNGBDBM311269((S)-1-((2′-(difluoromethyl)-4-methyl-[2,4...)
Affinity DataIC50:  1.40nMAssay 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 ArticlePubMed