BDBM497353 1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylpiperazin-1- yl)propyl]phenyl]ethyl] amino]-4H-pyrimido[4,5- d][1,3]oxazin-2-one, isomer 1::US11001596, Example 11::US11001596, Example 12::US11629156, Example 11

SMILES CC[C@@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1

InChI Key InChIKey=BASWGFWYCDZRSM-UHFFFAOYSA-N

Data  18 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 18 hits for monomerid = 497353   

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

US Patent
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 2.08E+3nMAssay 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], mitochondrial(Human)
Eli Lilly

US Patent
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 2.08E+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

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 345nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 20nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 54.3nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 15.6nMAssay 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
Go to US Patent

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 9.78nMAssay 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
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 3.22E+3nMAssay 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
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 277nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 9.78nMAssay 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
LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 345nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 26.3nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 134nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
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:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 29.4nMAssay 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
In Depth
Date in BDB:
11/8/2021
Entry Details
Go to US Patent

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 20nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 54.3nMAssay 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

LigandPNGBDBM497353(US11001596, Example 11 | US11001596, Example 12 | ...)
Affinity DataIC50: 15.6nMAssay 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:
11/8/2021
Entry Details
Go to US Patent