BDBM497355 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::US11001596, Example 13::US11001596, Example 14::US11649247, 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-HSTJUUNISA-N

Data  24 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 24 hits for monomerid = 497355   

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

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  7.40E+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 [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  456nMAssay 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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  7.03E+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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  392nMAssay 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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  7.40E+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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  456nMAssay 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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  7.03E+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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
Affinity DataIC50:  392nMAssay 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
LigandPNGBDBM497355(1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoyl...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent