BDBM50525018 CHEMBL4465842

SMILES [H][C@]12COC(=O)N1[C@H](NCCCCCCn1cc(COC[C@H]3O[C@@H]4O[C@]5([H])[C@@H](COCc6cn(CCCCCCN[C@@H]7[C@@H](O)[C@@H](O)[C@H](O)[C@@]8([H])COC(=O)N78)nn6)O[C@H](O[C@]6([H])[C@@H](COCc7cn(CCCCCCN[C@@H]8[C@@H](O)[C@@H](O)[C@H](O)[C@@]9([H])COC(=O)N89)nn7)O[C@H](O[C@]7([H])[C@@H](COCc8cn(CCCCCCN[C@@H]9[C@@H](O)[C@@H](O)[C@H](O)[C@@]%10([H])COC(=O)N9%10)nn8)O[C@H](O[C@]8([H])[C@@H](COCc9cn(CCCCCCN[C@@H]%10[C@@H](O)[C@@H](O)[C@H](O)[C@@]%11([H])COC(=O)N%10%11)nn9)O[C@]([H])(O[C@@H]9[C@@H](COCc%10cn(CCCCCCN[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O)[C@@]%12([H])COC(=O)N%11%12)nn%10)O[C@H](O[C@]%10([H])[C@@H](COCc%11cn(CCCCCCN[C@@H]%12[C@@H](O)[C@@H](O)[C@H](O)[C@@]%13([H])COC(=O)N%12%13)nn%11)O[C@]([H])(O[C@H]3[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]%10OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)nn1)[C@@H](O)[C@@H](O)[C@@H]2O

InChI Key InChIKey=GZABTGCLGYGLDD-GSPSZEOCSA-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 = 50525018   

TargetAlpha-mannosidase(Canavalia ensiformis)
University Of Sevilla

Curated by ChEMBL
LigandPNGBDBM50525018(CHEMBL4465842)
Affinity DataKi:  500nMAssay Description:Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydrolytic activity after 10 to 30 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetLysosomal alpha-mannosidase(Homo sapiens (Human))
University Of Sevilla

Curated by ChEMBL
LigandPNGBDBM50525018(CHEMBL4465842)
Affinity DataIC50:  440nMAssay Description:Inhibition of Lysosomal alpha-mannosidase in wild-type human fibroblast cell lysates using 4-methylumbelliferone alpha-D-mannopyranoside as a reporte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed