BDBM600752 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 1::US11629156, Example 13

SMILES CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](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 = 600752   

LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 12.4nMAssay 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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LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 16.6nMAssay 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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LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 239nMAssay 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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LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 39nMAssay 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
LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 456nMAssay 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
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TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM600752(US11629156, Example 13 | 1-Ethyl-7-[[(1S)-1-[4-[3-...)
Affinity DataIC50: 7.03E+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