BDBM108224 N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl]butanamide (Compound 10)
SMILES: OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12
InChI Key: InChIKey=NFCRLBOYIVLLLQ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4.18 | n/a | n/a | n/a | n/a | n/a | n/a | 5.2 | n/a |
Nankai University | Assay Description To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.96 | n/a | n/a | n/a | n/a | 5.2 | n/a |
Nankai University | Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
α-galactosidase (Coffea arabica (Coffee beans)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | 10.6 | 37 |
Nankai University | Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min.... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
α-glucosidase (Saccharomyces cerevisiae S288c (Baker's yeast)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | 10.6 | 37 |
Nankai University | Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min.... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-galactosidase (Bos taurus (Bovine)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | 10.6 | 37 |
Nankai University | Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min.... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysosomal acid glucosylceramidase (Homo sapiens (Human)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.67 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Nankai University | Assay Description The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-glucosidase (Prunus dulcis (Almond)) | BDBM108224 (N-phenyl-4-[6,7,8-trihydroxy-5-(hydroxymethyl)- 5H...) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 140 | n/a | n/a | n/a | n/a | 10.6 | 37 |
Nankai University | Assay Description In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min.... | Chembiochem 14: 1239-47 (2013) Article DOI: 10.1002/cbic.201300197 BindingDB Entry DOI: 10.7270/Q2NS0SHP | |||||||||||
More data for this Ligand-Target Pair |