BDBM692079 (R)-4-((1-(1,1-difluoro-2,3-dihydro-1H-inden-4-yl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)pyrido[3,4-d]pyridazine-1,7(2H,6H)-dione (example 67) and (S)-4-((1-(1,1-difluoro-2,3-dihydro-1H-inden-4-yl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)pyrido[3,4-d]pyridazine-1,7(2H,6H)-dione (example 68)::US20240279221, Example 67::US20240279221, Example 68

SMILES C[C@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)C1CCOCC1)c1cccc2c1CCC2(F)F

InChI Key InChIKey=ZPMRFCQXYVPXPD-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  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 4 hits for monomerid = 692079   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692079(US20240279221, Example 67 | (R)-4-((1-(1,1-difluor...)
Affinity DataKd:  10nMAssay 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:
11/26/2024
Entry Details
US Patent

TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692079(US20240279221, Example 67 | (R)-4-((1-(1,1-difluor...)
Affinity DataIC50: 24.6nMAssay Description:Inhibition of the SOS1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2024
Entry Details
US Patent

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692079(US20240279221, Example 67 | (R)-4-((1-(1,1-difluor...)
Affinity DataKd:  1.49E+3nMAssay 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:
11/26/2024
Entry Details
US Patent

TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692079(US20240279221, Example 67 | (R)-4-((1-(1,1-difluor...)
Affinity DataIC50: 1.71E+3nMAssay Description:Inhibition of the SOS1:KRAS interaction was measured using purified GST-tagged KRAS (res. 1-169, G12C, purified based on Hillig, et al., Proc Natl Ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2024
Entry Details
US Patent