BDBM50299752 (1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl)-N-(5-(adamant-1-yl)-methoxy pentyl)-2-oxabicyclo[4.1.0]heptan-7-amine::CHEMBL573995

SMILES: OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O

InChI Key: InChIKey=CGDRWZWRUHQHID-VHTQFUMLSA-N

Data: 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 2 hits for monomerid = 50299752   

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
Beta-glucosidase (Homo sapiens (Human))	BDBM50299752 ((1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl...) Show SMILES OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19| Show InChI InChI=1S/C23H39NO5/c25-12-17-20(26)21(27)18-19(22(18)29-17)24-4-2-1-3-5-28-13-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-22,24-27H,1-13H2/t14?,15?,16?,17-,18?,19+,20-,21-,22+,23?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of human GBA2				Bioorg Med Chem Lett 19: 6600-3 (2009) Article DOI: 10.1016/j.bmcl.2009.10.022 BindingDB Entry DOI: 10.7270/Q2736QZB
					More data for this Ligand-Target Pair
Lysosomal alpha-glucosidase (Homo sapiens (Human))	BDBM50299752 ((1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl...) Show SMILES OC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19| Show InChI InChI=1S/C23H39NO5/c25-12-17-20(26)21(27)18-19(22(18)29-17)24-4-2-1-3-5-28-13-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-22,24-27H,1-13H2/t14?,15?,16?,17-,18?,19+,20-,21-,22+,23?/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of human lysosomal alpha glucosidase				Bioorg Med Chem Lett 19: 6600-3 (2009) Article DOI: 10.1016/j.bmcl.2009.10.022 BindingDB Entry DOI: 10.7270/Q2736QZB
					More data for this Ligand-Target Pair