BDBM50576725 CHEMBL4875572::US20230348495, Example 2

SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1

InChI Key InChIKey=WVLFHNZKPFLBQZ-DDRJZQQSSA-N

Data  2 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 2 hits for monomerid = 50576725   

TargetGTPase KRas(Homo sapiens (Human))
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50576725(CHEMBL4875572 | US20230348495, Example 2)
Affinity DataIC50:  1.5nMAssay 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 DepthDetails ArticlePubMed
TargetGTPase KRas [G12D](Homo sapiens (Human))
Taiho Pharmaceutical

US Patent
LigandPNGBDBM50576725(CHEMBL4875572 | US20230348495, Example 2)
Affinity DataIC50:  1.5nMAssay 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 DepthDetails US Patent