BDBM416155 6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl}-8-[(1S,4S)-2-oxa-5- azabicyclo[2.2.1]hept-5-yl]- 6,11-dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine::US10442819, Example 300

SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2C[C@H]1CO2

InChI Key

Data  2 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 2 hits for monomerid = 416155   

LigandPNGBDBM416155(6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...)
Affinity DataIC50: 16nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM416155(6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...)
Affinity DataIC50: 48nMAssay 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
US Patent