BDBM416012 (8-(8-oxa-3- azabicyclo[3.2.1]octan- 3-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::US10442819, Example 160

SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC(C1)O2

InChI Key InChIKey=UHTVCYXFCYLZGK-BBLPBDBVSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 416012   

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

US Patent
LigandPNGBDBM416012((8-(8-oxa-3- azabicyclo[3.2.1]octan- 3-yl)-5,11-di...)
Affinity DataIC50:  15nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent