BDBM416009 6-{[(1R,3S,4S)-3- ethoxy-4- fluorocyclopentyl]carbon- yl}-8-[(1S,4S)-2-oxa- 5-azabicyclo[2.2.2]oct- 5-yl]-6,11-dihydro-5H- pyrido[2,3- b][1,5]benzodiazepine::US10442819, Example 157

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

InChI Key InChIKey=NKOAGOFEPIETAF-UHFFFAOYSA-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 = 416009   

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

US Patent
LigandPNGBDBM416009(US10442819, Example 157 | 6-{[(1R,3S,4S)-3- ethoxy...)
Affinity DataIC50: 13nMAssay 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
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent