BDBM287860 6-{[(1R,3aS,4S,6aS)-4- ethoxyoctahydropentalen- 1-yl]carbonyl}-8- morpholin-4-yl-6,11- dihydro-5H-pyrido[2,3- b][1,5]benzodiazepine::US10086000, Example 77::US10508108, Example 77

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

InChI Key InChIKey=RDYXQLCQGOAUHV-FUCAVZNHSA-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 = 287860   

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

US Patent
LigandPNGBDBM287860(6-{[(1R,3aS,4S,6aS)-4- ethoxyoctahydropentalen- 1-...)
Affinity DataIC50:  60nMAssay 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
LigandPNGBDBM287860(6-{[(1R,3aS,4S,6aS)-4- ethoxyoctahydropentalen- 1-...)
Affinity DataIC50:  60nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent