BDBM415751 ((2R,5S)-5-isopropoxytetrahydro- 2H-pyran-2-yl)(8-(tetrahydro-2H- pyran-3-yl)-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)methanone::US10442819, Example 27::US10442819, Example 28

SMILES CC(C)O[C@H]1CCC(OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)C1CCCOC1

InChI Key InChIKey=RESHQPPQIQELON-DQBMGFJSSA-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 = 415751   

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

US Patent
LigandPNGBDBM415751(((2R,5S)-5-isopropoxytetrahydro- 2H-pyran-2-yl)(8-...)
Affinity DataIC50:  7nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM415751(((2R,5S)-5-isopropoxytetrahydro- 2H-pyran-2-yl)(8-...)
Affinity DataIC50:  10nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent