BDBM287858 6-[(2R)-2,3-dihydro-1,4- benzodioxin-2-ylcarbonyl]- 8-(4-fluoropiperidin-1-yl)- 6,11-dihydro-5H- pyrido[2,3-b] [1,5]benzodiazepine::US10086000, Example 75::US10508108, Example 75

SMILES FC1CCN(CC1)c1ccc2Nc3ncccc3CN(C(=O)[C@H]3COc4ccccc4O3)c2c1

InChI Key InChIKey=SZIYWKTUGSKKCQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 287858   

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

US Patent
LigandPNGBDBM287858(US10086000, Example 75 | 6-[(2R)-2,3-dihydro-1,4- ...)
Affinity DataIC50: 69nMpH: 7.0 T: 2°CAssay 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:
1/17/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM287858(US10086000, Example 75 | 6-[(2R)-2,3-dihydro-1,4- ...)
Affinity DataIC50: 69nMAssay 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:
10/12/2020
Entry Details
Go to US Patent