BDBM629325 Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol)::Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol) and Compound 6 (6-chloro-5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-5a,6,7,8,9,10-hexahydro-5H-4-oxa-3,10a,11,13,14-pentaaza-6,9-methanonaphtho[1,8-ab]heptalen-2-yl)naphthalen-2-ol)::US20230339981, Example 5::US20240025919, Compound 1

SMILES Oc1cc(-c2nc3OC[C@@H]4[C@@H]5CC[C@H](CN4c4nc(OC[C@@]67CCCN6C[C@H](F)C7)nc(c2F)c34)N5)c2c(F)cccc2c1

InChI Key InChIKey=CHVWPFNRVOJBNB-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 629325   

TargetGTPase KRas [G12D](Human)
Gilead Sciences

US Patent
LigandPNGBDBM629325(Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-((...)
Affinity DataIC50: 3nMAssay 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(Human)
Genentech

US Patent
LigandPNGBDBM629325(Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-((...)
Affinity DataIC50: 8.12nMAssay Description:Biochemical compound potencies are assessed by evaluating inhibition of SOS1-mediated nucleotide exchange in KRAS WT. In this assay, the SOS1-promote...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2024
Entry Details
Go to US Patent

TargetGTPase KRas [G12D](Human)
Gilead Sciences

US Patent
LigandPNGBDBM629325(Compound 5 (5-fluoro-4-((5aS,6S,9R)-1-fluoro-12-((...)
Affinity DataIC50: 0.120nMAssay 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
Go to US Patent