SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 200.1
BDBM36373

Wt: 200.1
BDBM108215

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 24 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	33.1	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
Nankai University					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3965 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3130 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-mannosidase (Bacteroides thetaiotaomicron)	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.40E+3	-34.8	n/a	n/a	n/a	n/a	n/a	5.6	37
The Medical School, Newcastle University					Assay Description Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.				Nat Chem Biol 4: 306-12 (2008) Article DOI: 10.1038/nchembio.81 BindingDB Entry DOI: 10.7270/Q2X34VS6
The Medical School, Newcastle University					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3994 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3991 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2948 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 2199 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3990 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3858 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3962 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4073 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase/Alpha-1,2-mannosidase family protein/Alpha-1,2-mannosidase, putative/Glycoside hydrolase family 92/Putative alpha-1,2-mannosidase (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1032 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3963 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4093 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 4092 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 1878 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,2-mannosidase, putative (Bacteroides thetaiotaomicron )	BDBM36373 ((5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of Bacteroides thetaiotaomicron GH92 alpha-mannosidase 3784 assessed as reduction of mannose release using 4NP-mannopyranoside substrate				Nat Chem Biol 6: 125-32 (2010) Article DOI: 10.1038/nchembio.278 BindingDB Entry DOI: 10.7270/Q2ZW1PQB
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	79.2	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
Nankai University					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	91.6	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
Nankai University					More data for this Ligand-Target Pair
Prunasin hydrolase (Prunus dulcis (Almond))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	220	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
Nankai University					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	230	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
Nankai University					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.29E+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
Nankai University					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM108215 (5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...) Show SMILES OCC1C(O)C(O)C(O)c2nccn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.85E+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
Nankai University					More data for this Ligand-Target Pair