BDBM497348 1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoylpiperazin-1- yl)butyl]phenyl]ethyl]amino]- 4H-pyrimido[4,5- d][1,3]oxazin-2-one::US11001596, Example 6::US11001596, Example 7::US11001596, Example 8::US11629156, Example 6::US11649247, Example 8

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

InChI Key InChIKey=PKBWNJLBLZQTRD-QHELBMECSA-N

Data  36 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 497348   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  4.91nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  493nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  6.38nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  74.3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  22.4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  46nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  17nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  54.9nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  493nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  233nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  1.53E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  237nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  1.62E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  4.91nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  5.05nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  6.38nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  74.3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  22.4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50: <5.08nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  46nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  17nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  54.9nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  493nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  233nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  1.53E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  237nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  1.62E+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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  4.91nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  5.05nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  54.9nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497348(1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoy...)
Affinity DataIC50:  5.05nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent