BDBM631464 N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-4-((1- methylpiperidin-4-yl)amino)-1-((S)-3-methyltetrahydrofuran-3-yl)-6-oxo-1,6-dihydropyridine-3- carboxamide and N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-4-((1-methylpiperidin-4- yl)amino)-1-((R)-3-methyltetrahydrofuran-3-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide (diastereomers unassigned)::US20230348424, Example 47

SMILES C[C@@H](NC(=O)c1cn(c(=O)cc1NC1CCN(C)CC1)[C@@]1(C)CCOC1)c1cccc(C(F)F)c1F

InChI Key InChIKey=PBPYBHPRAQXQCB-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 2 hits for monomerid = 631464   

TargetSon of sevenless homolog 1 [564-1049](Human)
SchröDinger

US Patent
LigandPNGBDBM631464(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataKd:  2nMAssay Description:Binding to SOS1 was measured using a SPR assay with purified recombinant human SOS1 substrate (res. 564-1049 with N-terminal Avi tag; purified and bi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
US Patent

LigandPNGBDBM631464(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of the SOS 1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
US Patent