BDBM50576727 CHEMBL4857517::US20230348495, Example 6

SMILES Cc1cccc2cc(O)cc(N3CCc4c(C3)nc(OCC3(CN5CCOCC5)CC3)nc4N3CC4CCC(C3)N4)c12

InChI Key InChIKey=FCEQDHUJBGSRCC-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50576727   

TargetGTPase KRas [G12D](Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM50576727(CHEMBL4857517 | US20230348495, Example 6)
Affinity DataIC50: 3.20nMAssay 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
LigandPNGBDBM50576727(CHEMBL4857517 | US20230348495, Example 6)
Affinity DataIC50: 3.20nMAssay 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