BDBM416178 6-{[(1R,3S,4S)-4-ethoxy-3- fluorocyclohexyl]carbonyl}- 8-[(1R,4R)-2-oxa-5- azabicyclo[2.2.2]oct-5-yl]- 6,11-dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine::US10442819, Example 323

SMILES CCO[C@H]1CC[C@H](C[C@@H]1F)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@H]2CC[C@@H]1CO2

InChI Key InChIKey=XDJOIFDRPGFLPE-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 = 416178   

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

US Patent
LigandPNGBDBM416178(6-{[(1R,3S,4S)-4-ethoxy-3- fluorocyclohexyl]carbon...)
Affinity DataIC50: 12nMAssay 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:
8/24/2020
Entry Details
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