BDBM692045 6-cyclopropyl-2-methyl-4-(((R)-1-(2-methyl-3-(trifluoromethyl)phenyl)ethyl)amino)-8-((S)-pyrrolidin-2-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 34, Absolute stereochemistry at pyrrolidine arbitrarily defined) and 6-cyclopropyl-2-methyl-4-(((R)-1-(2-methyl-3-(trifluoromethyl)phenyl)ethyl)amino)-8-((R)-pyrrolidin-2-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 35, Absolute stereochemistry at pyrrolidine arbitrarily defined)::US20240279221, Example 34::US20240279221, Example 35

SMILES C[C@@H](Nc1nn(C)c(=O)c2c([C@H]3CCCN3)c(=O)n(cc12)C1CC1)c1cccc(c1C)C(F)(F)F

InChI Key InChIKey=MFHBJGXWJWBFAM-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 692045   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692045(US20240279221, Example 34 | US20240279221, Example...)
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(Human)
SchröDinger

US Patent
LigandPNGBDBM692045(US20240279221, Example 34 | US20240279221, Example...)
Affinity DataKd:  17nMAssay 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
LigandPNGBDBM692045(US20240279221, Example 34 | US20240279221, Example...)
Affinity DataIC50: 43.9nMAssay 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
LigandPNGBDBM692045(US20240279221, Example 34 | US20240279221, Example...)
Affinity DataIC50: 78.4nMAssay 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