BDBM412571 US10399972, Example 62::[9-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-isopropoxycyclohexyl)methanone

SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)N1Cc2cccnc2Nc2cc(F)c(cc12)N1CC2CCC1CO2

InChI Key InChIKey=FBQPUXUYYHTETQ-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 = 412571   

LigandPNGBDBM412571(US10399972, Example 62 | [9-fluoro-8-(2-oxa-5-azab...)
Affinity DataIC50: 35nMAssay 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
LigandPNGBDBM412571(US10399972, Example 62 | [9-fluoro-8-(2-oxa-5-azab...)
Affinity DataIC50: 35.2nMAssay 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