BDBM692095 4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)-6-((S)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 83, stereochemistry at tetrahydropyran arbitrarily assigned) and 4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)-6-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 84, stereochemistry at tetrahydropyran arbitrarily assigned)::US20240279221, Example 83::US20240279221, Example 84

SMILES C[C@@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)[C@H]1CCOC(C)(C)C1)c1cccc(C(F)F)c1F

InChI Key InChIKey=ARODUATXPJIGTI-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 = 692095   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692095(US20240279221, Example 83 | 4-(((R)-1-(3-(difluoro...)
Affinity DataKd:  11nMAssay 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(Human)
SchröDinger

US Patent
LigandPNGBDBM692095(US20240279221, Example 83 | 4-(((R)-1-(3-(difluoro...)
Affinity DataKd:  28nMAssay 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
LigandPNGBDBM692095(US20240279221, Example 83 | 4-(((R)-1-(3-(difluoro...)
Affinity DataIC50: 48.7nMAssay 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/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692095(US20240279221, Example 83 | 4-(((R)-1-(3-(difluoro...)
Affinity DataIC50: 229nMAssay 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