BDBM50579991 CHEMBL5078639::US11702409, Example 56b

SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2CC(CO)Oc2c1)-c1c(Cl)c(C)cc2[nH]ncc12

InChI Key InChIKey=YZMYEHNEJUGZRW-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 = 50579991   

TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579991(CHEMBL5078639 | US11702409, Example 56b)
Affinity DataIC50: 38nMAssay 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
LigandPNGBDBM50579991(CHEMBL5078639 | US11702409, Example 56b)
Affinity DataIC50: 5.00E+4nMAssay 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
LigandPNGBDBM50579991(CHEMBL5078639 | US11702409, Example 56b)
Affinity DataIC50: 38nMAssay 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
LigandPNGBDBM50579991(CHEMBL5078639 | US11702409, Example 56b)
Affinity DataIC50: 5.00E+4nMAssay 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