BDBM692036 (R)-6-(1-((6-cyclopropyl-2-methyl-1,7-dioxo-1,2,6,7-tetrahydropyrido[3,4-d]pyridazin-4-yl)amino)ethyl)-1-methyl-1H-indazole-3-carbonitrile (Example 25, stereochemistry is arbitrarily assigned) and (S)-6-(1-((6-cyclopropyl-2-methyl-1,7-dioxo-1,2,6,7-tetrahydropyrido[3,4-d]pyridazin-4-yl)amino)ethyl)-1-methyl-1H-indazole-3-carbonitrile (example 26, stereochemistry is arbitrarily assigned)::US20240279221, Example 25::US20240279221, Example 26

SMILES C[C@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)C1CC1)c1ccc2c(nn(C)c2c1)C#N

InChI Key InChIKey=WKEIHIDTUGXFNB-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 692036   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692036(US20240279221, Example 25 | US20240279221, Example...)
Affinity DataKd:  225nMAssay 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
LigandPNGBDBM692036(US20240279221, Example 25 | US20240279221, Example...)
Affinity DataIC50: 3.86E+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

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692036(US20240279221, Example 25 | US20240279221, Example...)
Affinity DataKd: >5.00E+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:
11/26/2024
Entry Details
US Patent

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

US Patent
LigandPNGBDBM692036(US20240279221, Example 25 | US20240279221, Example...)
Affinity DataIC50: 1.00E+5nMAssay 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