BDBM603024 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::US11649247, Example 11::US11649247, Example 12

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

InChI Key InChIKey=BASWGFWYCDZRSM-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 603024   

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, Example 12 | ...)
Affinity DataIC50: 0nMAssay 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Eli Lilly

US Patent
LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM603024(US11649247, Example 11 | US11649247, 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:
6/19/2023
Entry Details
Go to US Patent