BDBM50579988 CHEMBL5075960::US11702409, Example 35b

SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(cc1)N1CCC1=O)-c1c(Cl)c(C)cc2[nH]ncc12

InChI Key InChIKey=ZDXBTYIAQLFXJD-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 = 50579988   

TargetGTPase KRas(Human)
Arrival Discovery

Curated by ChEMBL
LigandPNGBDBM50579988(CHEMBL5075960 | US11702409, Example 35b)
Affinity DataIC50: 27nMAssay 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
LigandPNGBDBM50579988(CHEMBL5075960 | US11702409, Example 35b)
Affinity DataIC50: 27nMAssay 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
LigandPNGBDBM50579988(CHEMBL5075960 | US11702409, Example 35b)
Affinity DataIC50: 27nMAssay 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
LigandPNGBDBM50579988(CHEMBL5075960 | US11702409, Example 35b)
Affinity DataIC50: 1.50E+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