BDBM497334 7-[[(1S)-1-[4-[(1R)-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 1::US11629156, Example 1::US11649247, Example 1

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

InChI Key InChIKey=AFGYODUJVVOZAX-YADARESESA-N

Data  18 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 18 hits for monomerid = 497334   

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

US Patent
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  5.69nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  801nMAssay 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], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  113nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  32.8nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  85.4nMAssay 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], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  801nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  5.69nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  4.31nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  113nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  32.8nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  85.4nMAssay 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], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  801nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  5.69nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  4.31nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  113nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  32.8nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  85.4nMAssay 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
LigandPNGBDBM497334(7-[[(1S)-1-[4-[(1R)-2-Cyclopropyl-1-(4-prop-2-enoy...)
Affinity DataIC50:  4.31nMAssay 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