BDBM412570 (trans-4-isopropoxycyclohexyl){7- methyl-8-[(1R,4R)-2-oxa-5- azabicyclo[2.2.2]oct-5-yl]-5,11- dihydro-6H-pyrido[2,3- b][1,5]benzodiazepin-6- yl}methanone::US10399972, Example 61

SMILES CC(C)OC1CCC(CC1)C(=O)N1Cc2cccnc2Nc2ccc(N3C[C@H]4CC[C@@H]3CO4)c(C)c12

InChI Key InChIKey=AXBZIQVMJPDJIP-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 = 412570   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 412570BDBM412570(US10399972, Example 61 | (trans-4-isopropoxycycloh...)
Affinity DataIC50: 54.1nMAssay 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