Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.5 BDBM50028222

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

Found 3 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	koff s-1	kon M-1s-1	pH	Temp °C
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028222 (CHEMBL3354042) Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028222 (CHEMBL3354042) Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50028222 (CHEMBL3354042) Show SMILES COc1ccc(cc1)-c1ccc(COCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C25H35NO6/c1-31-21-11-9-20(10-12-21)19-7-5-18(6-8-19)17-32-14-4-2-3-13-26-15-23(28)25(30)24(29)22(26)16-27/h5-12,22-25,27-30H,2-4,13-17H2,1H3/t22-,23+,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair