BDBM412522 US10399972, Example 13::US10399972, Example 14::[3-fluoro-8-(2-oxa-5- azabicyclo[2.2.2]oct-5-yl)-5,11- dihydro-6H-pyrido[2,3- b][1,5]benzodiazepin-6-yl][trans- 4-(propan-2- yloxy)cyclohexyl]methanone

SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(cc12)N1CC2CCC1CO2

InChI Key InChIKey=CNUHIEXZNDMQEL-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 412522   

LigandPNGBDBM412522([3-fluoro-8-(2-oxa-5- azabicyclo[2.2.2]oct-5-yl)-5...)
Affinity DataIC50: 21nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM412522([3-fluoro-8-(2-oxa-5- azabicyclo[2.2.2]oct-5-yl)-5...)
Affinity DataIC50: 35.5nMAssay 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 InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent

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

US Patent
LigandPNGBDBM412522([3-fluoro-8-(2-oxa-5- azabicyclo[2.2.2]oct-5-yl)-5...)
Affinity DataIC50: 44.3nMAssay 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 InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent