BDBM287866 6-{[(1S,3aR,4R,6aR)-4- methoxyoctahydropentalen- 1-yl]carbonyl}-8-(8-oxa- 3-azabicyclo[3.2.1]oct-3- yl)-6,11-dihydro-5H- pyrido[2,3-b] [1,5]benzodiazepine::US10086000, Example 83::US10508108, Example 83

SMILES CO[C@@H]1CC[C@@H]2[C@H]1CC[C@@H]2C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC(C1)O2

InChI Key InChIKey=RIVWKJJJHQAAAF-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 = 287866   

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

US Patent
LigandPNGBDBM287866(US10086000, Example 83 | 6-{[(1S,3aR,4R,6aR)-4- me...)
Affinity DataIC50: 48nMpH: 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
LigandPNGBDBM287866(US10086000, Example 83 | 6-{[(1S,3aR,4R,6aR)-4- me...)
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:
10/12/2020
Entry Details
Go to US Patent