BDBM692056 4-(((S)-1-(3-(difluoro((S)-tetrahydrofuran-2-yl)methyl)-2-fluorophenyl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 44, stereochemistry at chiral methyl is arbitrarily assigned) and 4-(((R)-1-(3-(difluoro((S)-tetrahydrofuran-2-yl)methyl)-2-fluorophenyl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 45, stereochemistry at chiral methyl is arbitrarily assigned)::US20240279221, Example 44::US20240279221, Example 45

SMILES C[C@@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1F)C(F)(F)[C@@H]1CCCO1

InChI Key InChIKey=YLMXDBIDMIUTBC-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 = 692056   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692056(US20240279221, Example 44 | 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/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692056(US20240279221, Example 44 | US20240279221, Example...)
Affinity DataIC50: 23.4nMAssay 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

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692056(US20240279221, Example 44 | US20240279221, Example...)
Affinity DataKd: >5.00E+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
LigandPNGBDBM692056(US20240279221, Example 44 | US20240279221, Example...)
Affinity DataIC50: 5.81E+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