BDBM50403937 CHEMBL2114149

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

InChI Key: InChIKey=JMGMYORMUHCVGM-RAIGVLPGSA-N

Data: 3 KI  4 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 = 50403937   

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))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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-galactosidasee from Aspergillus niger was tested at a dose of 1 mM				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))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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) 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
Beta-galactosidase (Aspergillus niger)	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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(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 (Aspergillus niger)	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+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
Beta-galactosidase (Homo sapiens (Human))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/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	1.00E+6	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))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/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	6.50E+4	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 was tested at a dose of 1 mM				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))	BDBM50403937 (CHEMBL2114149) Show SMILES CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12-,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibitor concentration of 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