BDBM50564233 CHEMBL4792854

SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O

InChI Key InChIKey=NCWNCLLUJRRPFV-YLLYDAKKSA-N

Data  2 KI  2 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 4 hits for monomerid = 50564233   

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

Curated by ChEMBL
LigandPNGBDBM50564233(CHEMBL4792854)
Affinity DataKi:  200nMAssay Description:Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564233(CHEMBL4792854)
Affinity DataKi:  770nMAssay Description:Competitive inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins f...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
LigandPNGBDBM50564233(CHEMBL4792854)
Affinity DataIC50:  1.20E+3nMAssay 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
TargetLysosomal acid glucosylceramidase(Homo sapiens (Human))
Universidad De Sevilla

Curated by ChEMBL
LigandPNGBDBM50564233(CHEMBL4792854)
Affinity DataIC50:  250nMAssay Description:Inhibition of human recombinant lysosomal GCase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followed by s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed