BDBM412551 (8-(((3-(chloromethyl)tetrahydro- 2H-pyran-3-yl)methyl)amino)-3- fluoro-5,11-dihydro-6H- benzo[b]pyrido[2,3- e][1,4]diazepin-6-yl)((2R,5S)-5- isopropoxytetrahydro-2H-pyran- 2-yl)methanone::US10399972, Example 42

SMILES CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cc(F)cnc2Nc2ccc(NCC3(CCl)CCCOC3)cc12

InChI Key InChIKey=IAFTVSMJEFWHIF-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 412551   

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

US Patent
LigandPNGBDBM412551(US10399972, Example 42 | (8-(((3-(chloromethyl)tet...)
Affinity DataIC50: 13.6nMAssay 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
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Date in BDB:
7/27/2020
Entry Details
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