BDBM591417 Synthesis of (2S)-N-[(8S,14S)-22-ethyl-4-hydroxy-21-[2-(methoxymethyl)pyridin-3-yl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23::US11566007, Example A95

SMILES CCn1c(c2CC(C)(C)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cc(O)cc(c3)-c3ccc1c2c3)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]1CCN(C1)C(=O)C#CCN1CCOCC1)-c1cccnc1COC

InChI Key InChIKey=XNEQFKMVDHBQRC-UHFFFAOYSA-N

Data  8 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 591417   

TargetGTPase KRas [G13C](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 550nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
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TargetGTPase KRas [G13D](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 5.50E+3nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12V](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 550nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase NRas [G12C](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 10nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12S](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 550nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase KRas(Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 5.50E+3nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12D](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 1.00E+4nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent

TargetGTPase KRas [G12C](Human)
Revolution Medicines

US Patent
LigandPNGBDBM591417(US11566007, Example A95 | Synthesis of (2S)-N-[(8S...)
Affinity DataIC50: 10nMAssay Description:A variety of Ras proteins may be inhibited by compounds of the present invention (e.g., K-Ras, N-Ras, H-Ras, and mutants thereof at positions 12, 13 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent