BDBM50101403 CHEMBL3393932

SMILES: [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2

InChI Key: InChIKey=AVIPPTCISHRDPY-VOFPXKNKSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50101403   

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)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,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	2.26E+4	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)	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,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	6.10E+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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+5	n/a	n/a	n/a	n/a	7.0	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of human beta-glucocerebrosidase at pH 7.0 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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50101403 (CHEMBL3393932) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OC(SCCCCCCCCCCCCCCCC(O)=O)=N2 |r,c:33| Show InChI InChI=1S/C23H41NO7S/c25-16-17-19(28)20(29)21-22(30-17)24-23(31-21)32-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18(26)27/h17,19-22,25,28-29H,1-16H2,(H,26,27)/t17-,19-,20+,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	5.5	n/a
Universitat Rovira i Virgili Curated by ChEMBL					Assay Description Inhibition of human beta-glucocerebrosidase at pH 5.5 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