BDBM412542 (8-((S)-1,4-Dioxan-2-yl)-3-fluoro-5,11-dihydro-6H-benzo[b]pyrido[2,3-e][1,4]diazepin-6-yl)((2R,5S)-5-isopropoxytetrahydro-2H-pyran-2-yl)methanone::US10399972, Example 33

SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)[C@H]1COCCO1

InChI Key InChIKey=NTBPQMAKDYFKOK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 412542   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM412542(US10399972, Example 33 | (8-((S)-1,4-Dioxan-2-yl)-...)
Affinity DataIC50: 21.8nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...More data for this Ligand-Target Pair
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Date in BDB:
7/27/2020
Entry Details
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