BDBM287854 8-morpholin-4-yl-6- [(1S,3aR,6aR)- octahydropentalen-1- ylcarbonyl]-6,11-dihydro- 5H-pyrido[2,3-b] [1,5]benzodiazepine::US10086000, Example 71::US10508108, Example 71

SMILES O=C([C@H]1CC[C@H]2CCC[C@@H]12)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1

InChI Key InChIKey=GFNNTYKPDNITHZ-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 = 287854   

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

US Patent
LigandPNGBDBM287854(US10086000, Example 71 | 8-morpholin-4-yl-6- [(1S,...)
Affinity DataIC50: 85nMpH: 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
LigandPNGBDBM287854(US10086000, Example 71 | 8-morpholin-4-yl-6- [(1S,...)
Affinity DataIC50: 85nMAssay 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