US11001596, Example 5 7-[[(1S)-1-[4-[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
SMILES: CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC3CC3)N3CCN(CC3)C(=O)C=C)nc12
InChI Key: InChIKey=AFGYODUJVVOZAX-XGLRFROISA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human)) | BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.49 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company US Patent | Assay 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... | US Patent US11001596 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate dehydrogenase [NADP] cytoplasmic [1-141,R132H] (Homo sapiens (Human)) | BDBM497343 (7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpi...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.76 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company US Patent | Assay 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... | US Patent US11001596 (2021) | |||||||||||
More data for this Ligand-Target Pair |