BDBM416153 6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl}-8-(6-oxa-3- azabicyclo[3.1.1]hept-3-yl)- 6,11-dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine::US10442819, Example 298

SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CC(C1)O2

InChI Key InChIKey=LULPCDCWIDTIOQ-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 = 416153   

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

US Patent
LigandPNGBDBM416153(6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...)
Affinity DataIC50: 54nMAssay 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