BDBM108216 5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- imidazo[1,2-a]pyridine-6,7,8-triol (Compound 2)

SMILES: OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12

InChI Key: InChIKey=MLRMIFDEZCZOAE-UHFFFAOYSA-N

Data: 1 KI  6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 108216   

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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.19	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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	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	3.71	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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+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
α-glucosidase (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	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	2.04	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))	BDBM108216 (5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...) Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12 Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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