BDBM415777 (8-(2- ((difluoromethoxy)methyl) cyclopropyl)-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)((2R,5S)-5- isopropoxytetrahydro-2H-pyran- 2-yl)methanone::US10442819, Example 36

SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CC1COC(F)F

InChI Key InChIKey=YJLYYSXIWUNRFH-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 = 415777   

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

US Patent
LigandPNGBDBM415777(US10442819, Example 36 | (8-(2- ((difluoromethoxy)...)
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
In Depth
Date in BDB:
8/24/2020
Entry Details
Go to US Patent