BDBM50576726 CHEMBL4872714::US20230348495, Example 3

SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1

InChI Key InChIKey=OUEMNZQTVGHAFW-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 50576726   

TargetGTPase KRas [G12D](Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM50576726(CHEMBL4872714 | US20230348495, Example 3)
Affinity DataIC50: 1.20nMAssay Description:For the measurement of the inhibitory activity of compounds on GDP-GTP exchange rate of recombinant KRAS G12D, BODIPY FL GDP-bound KRAS G12D protein ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2023
Entry Details
US Patent

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50576726(CHEMBL4872714 | US20230348495, Example 3)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of recombinant his-tagged KRAS G12D mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of GDP-GTP exch...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed