BDBM50403936 CHEMBL2114148

SMILES: CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O

InChI Key: InChIKey=HQEANUUDGAQVBA-FBIMIBRVSA-N

Data: 5 KI  5 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 10 hits for monomerid = 50403936   

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
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant against Beta-galactosidase from Jack beans; Mixed (Non competitive and competitive)				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of the compound against alpha-L-Fucosidase from Bovine epididymis				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus niger)	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant (Non competitive) of compound against Beta-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase (Bos taurus (Bovine))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant of the compound against beta-Galactosidase from Aspergillus orizae; Mixed (Non competitive and competitive)				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant (Competitive) of the compound against Beta-galactosidase from Escherichia coli				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus niger)	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of the compound against Beta-galactosidase from Aspergillus niger				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of compound against beta-Galactosidase from Jack beans				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration against Beta-galactosidase from was Escherichia coli				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
Beta-galactosidase (Homo sapiens (Human))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition constant (Competitive) of the compound against alpha-l-Fucosidase from Bovine epididymis				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair
β-galactosidase (Bos taurus (Bovine))	BDBM50403936 (CHEMBL2114148) Show SMILES CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H17NO5/c1-3-17-12(16)7-4-9(18-6(7)2)10-11(15)8(14)5-13-10/h4,8,10-11,13-15H,3,5H2,1-2H3/t8-,10-,11-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of the compound against Beta-galactosidase from Bovine liver				Bioorg Med Chem Lett 12: 2335-9 (2002) BindingDB Entry DOI: 10.7270/Q2GB23CB
					More data for this Ligand-Target Pair