BDBM631487 N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)-1-(1- (difluoromethyl)cyclopropyl)-4-(((3S,4R)-3-fluoropiperidin-4-yl)amino)-6-oxo-1,6- dihydropyridine-3-carboxamide (example 69, absolute stereochemistry on piperidine ring is arbitrarily defined)::US20230348424, Example 70

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

InChI Key InChIKey=AMJPASDPTHFZEA-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 = 631487   

LigandPNGBDBM631487(US20230348424, Example 70 | N-((R)-1-(3-(difluorom...)
Affinity DataIC50: 12.7nMAssay 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
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TargetSon of sevenless homolog 1 [564-1049]()
SchröDinger

US Patent
LigandPNGBDBM631487(US20230348424, Example 70 | N-((R)-1-(3-(difluorom...)
Affinity DataKd:  4nMAssay 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