BDBM631480 N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-1-(1- (difluoromethyl)cyclopropyl)-4-(((3S,4R)-3-fluoro-1-methylpiperidin-4-yl)amino)-6-oxo-1,6- dihydropyridine-3-carboxamide and N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-1-(1- (difluoromethyl)cyclopropyl)-4-(((3R,4S)-3 -fluoro-1 -methylpiperidin-4-yl)amino)-6-oxo-1,6- dihydropyridine-3-carboxamide (diastereomers are unassigned)::US20230348424, Example 63

SMILES C[C@@H](NC(=O)c1cn(c(=O)cc1N[C@@H]1CCN(C)C[C@@H]1F)C1(CC1)C(F)F)c1cccc(C(F)F)c1F

InChI Key InChIKey=IUZDRIVOGKPURG-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 = 631480   

LigandPNGBDBM631480(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 11.3nMAssay 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
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Date in BDB:
12/20/2023
Entry Details
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TargetSon of sevenless homolog 1 [564-1049]()
SchröDinger

US Patent
LigandPNGBDBM631480(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataKd:  7nMAssay 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
Go to US Patent