BDBM50101402 CHEMBL3393927

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

InChI Key: InChIKey=SMENMHUXWSBEAT-IFPLKCGESA-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 = 50101402   

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)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.64E+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)	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+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))	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/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	3.00E+5	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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50101402 (CHEMBL3393927) Show SMILES [H][C@]12OC(SCCCCCCCCCCCCCCCC(=O)OC)=N[C@@]1([H])O[C@H](CO)[C@@H](O)[C@@H]2O |r,c:23| Show InChI InChI=1S/C24H43NO7S/c1-30-19(27)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-33-24-25-23-22(32-24)21(29)20(28)18(17-26)31-23/h18,20-23,26,28-29H,2-17H2,1H3/t18-,20-,21+,22-,23+/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	3.30E+4	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