BDBM572471 5-Chloro-2- cyanopyridin-3-yl 3- deoxy-2-O-ethyl-3-[4- (3,4,5-trifluoro-phenyl)- 1H-1,2,3-triazol-1-yl]-1- thio-alpha-D- galactopyranoside::US11447517, Example 16

SMILES CCOC1[C@H](OC(CO)[C@H](O)[C@@H]1n1cc(nn1)-c1cc(F)c(F)c(F)c1)Sc1cc(Cl)cnc1[N+]#[C-]

InChI Key InChIKey=CJEGMDMGFBDSKJ-UHFFFAOYSA-N

Data  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 572471   

TargetGalectin-3(Human)
Galecto Biotech

US Patent
LigandPNGBDBM572471(5-Chloro-2- cyanopyridin-3-yl 3- deoxy-2-O-ethyl-...)
Affinity DataKd:  59nMAssay Description:The affinity of Example 1-71 for galectins were determined by a fluorescence anisotropy assay where the compound was used as an inhibitor of the inte...More data for this Ligand-Target Pair
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Date in BDB:
11/20/2022
Entry Details
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