BDBM642915 2-(3-((1-PEG-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::US11858959, Compound 605-2

SMILES COCCOCCOCCOCCC(=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(OCc3cn(OCCOCCOCCOC)nn3)c2)[N+]([O-])=O)[C@]1(C)C(=O)OCc1oc(=O)oc1C

InChI Key InChIKey=CKQHCSQJNDICOJ-YFQZQLKYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 642915   

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

US Patent
LigandPNGBDBM642915(2-(3-((1-PEG-1H-1,2,3-triazol-4-yl)methoxy)-4-nitr...)
Affinity DataIC50:  126nMAssay Description:Human descending colon epithelial stem cells were cultured as 3D organoids in accordance with Sato et al Gastroenterology. 2011 November; 141(5): 176...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent