BDBM683099 2-(3-((1-PEG5K -1H-1,2,3-triazol-4-yl)methoxy)-4-nitrobenzyl) 9-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl) (2S,4aS,6aS,6bR,8aR,9S,10S,12aS,12bR,14bR)-10-((2,5,8,11-tetraoxatetradecan-14-oyl)oxy)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,9-dicarboxylate::US20240209019, Compound 605-2

SMILES COCCOCCOCCOCCOCCOCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(=O)OCc2ccc(c(OCc3c[nH]nn3)c2)[N+]([O-])=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C

InChI Key InChIKey=CDRIXLHCOOWUCE-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 = 683099   

Target11-beta-hydroxysteroid dehydrogenase type 2(Human)
Ardelyx

US Patent
LigandPNGBDBM683099(US20240209019, Compound 605-2 | 2-(3-((1-PEG5K -1H...)
Affinity DataIC50: 126nMAssay Description:Compounds were diluted in DMSO and serial dilutions prepared by titrating in DMSO. Compounds were then diluted into DMEM/F12. Transwell plates contai...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2024
Entry Details
US Patent