BDBM412555 (8-((1S,4S)-2-oxa-5- azabicyclo[2.2.1]heptan-5-yl)- 3,9-difluoro-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 46

SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2cc(F)c(cc12)N1C[C@@H]2C[C@H]1CO2

InChI Key InChIKey=MZDFRCYXOCIWJF-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 = 412555   

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

US Patent
LigandPNGBDBM412555(US10399972, Example 46 | (8-((1S,4S)-2-oxa-5- azab...)
Affinity DataIC50: 17.9nMAssay 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
US Patent