BDBM497335 7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- enoylpiperazin-1-yl) ethyl]phenyl]ethyl]amino]- 1-ethyl-4H-pyrimido[4,5- d][1,3]oxazin-2-one::US11001596, Example 2::US11629156, Example 2::US11649247, Example 2

SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12

InChI Key InChIKey=AFGYODUJVVOZAX-UHFFFAOYSA-N

Data  18 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 497335   

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 11.5nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 884nMAssay Description:IDH1 and IDH2 enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 105nMAssay Description:IDH1 and IDH2 enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 11.5nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 36.9nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 3.71nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 6.27nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 884nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 105nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 6.27nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 36.9nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 3.71nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 6.27nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 884nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 105nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 11.5nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 36.9nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497335(7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- en...)
Affinity DataIC50: 3.71nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent