BDBM600753 1-Ethyl-7-[[(1S)-1-[4-[3- methoxy-1-(4-prop-2- enoylpiperazin-1- yl)propyl]phenyl]ethyl]amino]- 4H-pyrimido[4,5- d][1,3]oxazin-2-one, diastereomer 2::US11629156, Example 14

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

InChI Key InChIKey=JIZFESLDQVTFNP-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 600753   

LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 19nMAssay 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
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Date in BDB:
5/27/2023
Entry Details
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LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 18.6nMAssay 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
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LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 746nMAssay 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
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LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 162nMAssay 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] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 392nMAssay 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
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Date in BDB:
5/27/2023
Entry Details
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TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM600753(US11629156, Example 14 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 7.40E+3nMAssay 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