BDBM50101405 CHEMBL3393931

SMILES: [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O

InChI Key: InChIKey=VGMIDHGCFLZJGW-CTWRKMMKSA-N

Data: 2 KI

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 2 hits for monomerid = 50101405   

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
Glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.3	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 7.3 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair
Glucosylceramidase (Bos taurus)	BDBM50101405 (CHEMBL3393931) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCCO)=N[C@@]1([H])O[C@H](CO)[C@H](O)[C@@H]2O |r,c:21| Show InChI InChI=1S/C23H43NO6S/c25-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-31-23-24-22-21(30-23)20(28)19(27)18(17-26)29-22/h18-22,25-28H,1-17H2/t18-,19+,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase at pH 5.5 incubated for 10 to 30 mins using beta-D-glycopyranoside substrate by spectrophotometry				Eur J Med Chem 90: 258-66 (2015) Article DOI: 10.1016/j.ejmech.2014.11.002 BindingDB Entry DOI: 10.7270/Q2H996ZT
					More data for this Ligand-Target Pair