BDBM50601090 CHEMBL5185048::US11702418, Example 19-2

SMILES C[C@@H](Nc1nnc(C)c2cc(c(cc12)N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1C

InChI Key InChIKey=KUBGCTZZRWSNPA-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50601090   

TargetSon of sevenless homolog 1 [564-1049]()
Mirati Therapeutics

US Patent
LigandPNGBDBM50601090(CHEMBL5185048 | US11702418, Example 19-2)
Affinity DataIC50: 779nMAssay Description:Table 24: This Example illustrates that exemplary compounds of the present invention prevent KRas-mediated GTP nucleotide exchange mediated by SOS1 t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetSon of sevenless homolog 1 [564-1049]()
Mirati Therapeutics

US Patent
LigandPNGBDBM50601090(CHEMBL5185048 | US11702418, Example 19-2)
Affinity DataKi:  95nMAssay Description:Table 22: This Example illustrates that exemplary compounds of the present invention bind to SOS1 and prevent a labeled tracer ligand from occupying ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetSon of sevenless homolog 1(Human)
Mirati Therapeutics

Curated by ChEMBL
LigandPNGBDBM50601090(CHEMBL5185048 | US11702418, Example 19-2)
Affinity DataKi:  95nMAssay Description:Binding affinity to N-terminal his-TEV-Avi-tagged human recombinant SOS1 expressed in Escherichia coli assessed as inhibition constant incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed