BDBM50579992 CHEMBL5080264::US11702409, Example 69b

SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]nc(N)c12

InChI Key InChIKey=PLBFKXIQUNKTIN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50579992   

TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579992(CHEMBL5080264 | US11702409, Example 69b)
Affinity DataIC50: 9nMAssay Description:Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579992(CHEMBL5080264 | US11702409, Example 69b)
Affinity DataIC50: 9nMAssay Description:Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetGTPase KRas [G12C](Human)
Novartis

US Patent
LigandPNGBDBM50579992(CHEMBL5080264 | US11702409, Example 69b)
Affinity DataIC50: 9nMAssay Description:Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12C](Human)
Novartis

US Patent
LigandPNGBDBM50579992(CHEMBL5080264 | US11702409, Example 69b)
Affinity DataIC50: 840nMAssay Description:Assays were run using 384-well plates (781207/Greiner) in which one column was designated as the high signal (no inhibition) control, and contained D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent