BDBM296116 (R)-3-(2-(((S)-1-(5-(2-fluoro-3-(trifluoromethyl)phenyl)pyrimidin-2-yl)ethyl)amino)pyrimidin-4-yl)-4-((S)-1-fluoroethyl)oxazolidin-2-one::US10112931, Example 467
SMILES: C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(cn2)-c2cccc(c2F)C(F)(F)F)n1
InChI Key: InChIKey=GRLDXWXKPBGGFY-MQIPJXDCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human)) | BDBM296116 ((R)-3-(2-(((S)-1-(5-(2-fluoro-3-(trifluoromethyl)p...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <2.29 | n/a | n/a | n/a | n/a | 7.4 | 25 |
NOVARTIS AG US Patent | Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc... | US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) (Homo sapiens (Human)) | BDBM296116 ((R)-3-(2-(((S)-1-(5-(2-fluoro-3-(trifluoromethyl)p...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.5 | 25 |
NOVARTIS AG US Patent | Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph... | US Patent US10112931 (2018) BindingDB Entry DOI: 10.7270/Q2PG1TRT | |||||||||||
More data for this Ligand-Target Pair |