BDBM692074 (R)-4-((1-(benzo[b]thiophen-4-yl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 62) and (S)-4-((1-(benzo[b]thiophen-4-yl)ethyl)amino)-2-methyl-6-(tetrahydro-2H-pyran-4-yl)-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 63)::US20240279221, Example 62::US20240279221, Example 63

SMILES C[C@H](Nc1nn(C)c(=O)c2cc(=O)n(cc12)C1CCOCC1)c1cccc2sccc12

InChI Key InChIKey=GPWBQBGVBKHNHI-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 692074   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692074((R)-4-((1-(benzo[b]thiophen-4-yl)ethyl)amino)-2-me...)
Affinity DataKd:  13nMAssay 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
LigandPNGBDBM692074((R)-4-((1-(benzo[b]thiophen-4-yl)ethyl)amino)-2-me...)
Affinity DataIC50: 75.3nMAssay 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/GTPase KRas [G12C](Human)
SchröDinger

US Patent
LigandPNGBDBM692074((R)-4-((1-(benzo[b]thiophen-4-yl)ethyl)amino)-2-me...)
Affinity DataIC50: 1.00E+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