BDBM50564249 CHEMBL4789325

SMILES O[C@@H]1CN[C@H](Cn2cc(CCCn3cc(COCC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCCc5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)nn2)[C@@H]1O

InChI Key InChIKey=PHQMWBJSWNYRKG-PDKMCVCWSA-N

Data  1 KI  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 2 hits for monomerid = 50564249   

TargetAlpha-galactosidase A(Homo sapiens (Human))
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564249(CHEMBL4789325)
Affinity DataKi:  3.70E+3nMAssay Description:Non-competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAlpha-galactosidase A(Homo sapiens (Human))
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564249(CHEMBL4789325)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed