BDBM629322 US20230339981, Example 2::US20240025919, Compound 81::US20240199644, Compound 6

SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(C#C)c(F)ccc2c1

InChI Key InChIKey=MPCCWLKZACKKGV-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 629322   

TargetGTPase KRas [G12D](Human)
Gilead Sciences

US Patent
LigandPNGBDBM629322(US20240025919, Compound 81 | US20230339981, Exampl...)
Affinity DataIC50: 0.200nMAssay Description:Compounds were tested for binding to GDP-loaded KRAS G12D in a 384-well assay format using a TR-FRET probe displacement assay in buffer consisting of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2023
Entry Details
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TargetGTPase KRas [G12D](Human)
Gilead Sciences

US Patent
LigandPNGBDBM629322(US20240025919, Compound 81 | US20230339981, Exampl...)
Affinity DataIC50: 0.0850nMAssay Description:Biochemical compound potencies are assessed by evaluating inhibition of SOS1I-mediated nucleotide exchange in KRAS G121D. In this assay, the SOS1-pro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2024
Entry Details
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LigandPNGBDBM629322(US20240025919, Compound 81 | US20230339981, Exampl...)
Affinity DataIC50: 0.230nMAssay Description:GppNp-loaded HIS-KRAS(G12D, aa 1-169) was pre-incubated with a compound in the presence of 200 uM GTP in a 384-well plate (Greiner) for 15 min, then ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2024
Entry Details
Go to US Patent