BDBM692070 4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)-6-((3R,4R)-3-fluorotetrahydro-2H-pyran-4-yl)-8-methoxy-2-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 58, absolute stereochemistry at tetrahydropyran is arbitrarily assigned) & 4-(((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)amino)-6-((3S,4S)-3-fluorotetrahydro-2H-pyran-4-yl)-8-methoxy-2-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,7-dione (example 59, absolute stereochemistry at tetrahydropyran is arbitrarily assigned)::US20240279221, Example 58::US20240279221, Example 59

SMILES COc1c2c(cn([C@@H]3CCOC[C@@H]3F)c1=O)c(N[C@H](C)c1cccc(C(F)F)c1F)nn(C)c2=O

InChI Key InChIKey=PECAHHHIGAUVJS-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 = 692070   

TargetSon of sevenless homolog 1(Human)
SchröDinger

US Patent
LigandPNGBDBM692070(US20240279221, Example 59 | 4-(((R)-1-(3-(difluoro...)
Affinity DataKd:  15nMAssay 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
LigandPNGBDBM692070(US20240279221, Example 59 | 4-(((R)-1-(3-(difluoro...)
Affinity DataIC50: 32.7nMAssay 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(Human)
SchröDinger

US Patent
LigandPNGBDBM692070(US20240279221, Example 59 | 4-(((R)-1-(3-(difluoro...)
Affinity DataKd:  441nMAssay 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
LigandPNGBDBM692070(US20240279221, Example 59 | 4-(((R)-1-(3-(difluoro...)
Affinity DataIC50: 1.04E+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