BDBM412556 (3,9-difluoro-8-((1R,3S,5S)-3- methoxy-8- azabicyclo[3.2.1]octan-8-yl)- 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 47

SMILES CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cc2N(Cc3cc(F)cnc3Nc2cc1F)C(=O)[C@H]1CC[C@@H](CO1)OC(C)C

InChI Key InChIKey=YWPFWXZFCBIAJY-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 = 412556   

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

US Patent
LigandPNGBDBM412556(US10399972, Example 47 | (3,9-difluoro-8-((1R,3S,5...)
Affinity DataIC50: 15.8nMAssay 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
US Patent