Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.6 BDBM50289179

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

Found 2 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
Lysosomal acid glucosylceramidase (Mus musculus (Mouse))	BDBM50289179 ((1R,3S,6R)-4-Hydroxymethyl-6-octadecylamino-cycloh...) Show SMILES CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:20| Show InChI InChI=1S/C25H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-19-21(20-27)23(28)25(30)24(22)29/h19,22-30H,2-18,20H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against beta-glucocerebrosidase.				Bioorg Med Chem Lett 6: 929-932 (1996) Article DOI: 10.1016/0960-894X(96)00146-1 BindingDB Entry DOI: 10.7270/Q2TX3FV3
					More data for this Ligand-Target Pair
Maltase-glucoamylase (Homo sapiens (Human))	BDBM50289179 ((1R,3S,6R)-4-Hydroxymethyl-6-octadecylamino-cycloh...) Show SMILES CCCCCCCCCCCCCCCCCCNC1C=C(CO)C(O)C(O)C1O |t:20| Show InChI InChI=1S/C25H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-22-19-21(20-27)23(28)25(30)24(22)29/h19,22-30H,2-18,20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against alpha-glucosidase.				Bioorg Med Chem Lett 6: 929-932 (1996) Article DOI: 10.1016/0960-894X(96)00146-1 BindingDB Entry DOI: 10.7270/Q2TX3FV3
					More data for this Ligand-Target Pair