BDBM651024 2-[(2S,5R)-2,5-dimethyl-4-(prop-2- enoyl)piperazin-1-yl]-19,22-difluoro-24- methyl-7-(propan-2-yl)-11,12,13,14-tetrahydro- 4H-1,20-etheno-6,10-(metheno)pyrimido[1,6- k][1,8,11,13]benzoxatriazacyclohexadecin-4- one::US20240043448, Example 88::US20240043448, Example 89

SMILES CC(C)c1ncc2CCCCOc3cccc(F)c3-c3nc4n(-c1c2C)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3F

InChI Key InChIKey=MQCFGOOPHGVHQY-UHFFFAOYSA-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 651024   

TargetGTPase KRas [2-169,G12C,C51S,C80L,C118S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM651024(US20240043448, Example 88 | 2-[(2S,5R)-2,5-dimethy...)
Affinity DataIC50: 1.10nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent

TargetGTPase KRas [2-169,G12C,C51S,C80L,C118S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM651024(US20240043448, Example 88 | 2-[(2S,5R)-2,5-dimethy...)
Affinity DataIC50: 71nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series in a 384-well low dead volume microplate (Labc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2024
Entry Details
Go to US Patent