BDBM412524 (8-((1R,5S)-3,9-dioxa-7- azabicyclo[3.3.1]nonan-7-yl)-3- fluoro-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)(1-(2,2,2- trifluoroethyl)piperidin-4- yl)methanone::US10399972, Example 15

SMILES Fc1cnc2Nc3ccc(cc3N(Cc2c1)C(=O)C1CCN(CC(F)(F)F)CC1)N1CC2COCC(C1)O2

InChI Key InChIKey=CMVGYUNHCNMBRL-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 = 412524   

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

US Patent
LigandPNGBDBM412524((8-((1R,5S)-3,9-dioxa-7- azabicyclo[3.3.1]nonan-7-...)
Affinity DataIC50:  83.4nMAssay 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 Info
In DepthDetails US Patent