BDBM50028230 CHEMBL3354049

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1

InChI Key: InChIKey=VYGIZBXHTDCYFB-UEQSERJNSA-N

Data: 3 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 3 hits for monomerid = 50028230   

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
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50028230 (CHEMBL3354049) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-31-12-3-1-2-11-26-14-22(28)24(30)23(29)21(26)15-27/h4-10,13,21-24,27-30H,1-3,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Non-lysosomal glucosylceramidase (Homo sapiens (Human))	BDBM50028230 (CHEMBL3354049) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-31-12-3-1-2-11-26-14-22(28)24(30)23(29)21(26)15-27/h4-10,13,21-24,27-30H,1-3,11-12,14-16H2/t21-,22+,23-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA2 (unknown origin)				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50028230 (CHEMBL3354049) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C24H32FNO5/c25-20-6-4-5-19(13-20)18-9-7-17(8-10-18)16-31-12-3-1-2-11-26-14-22(28)24(30)23(29)21(26)15-27/h4-10,13,21-24,27-30H,1-3,11-12,14-16H2/t21-,22+,23-,24-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Inhibition of GBA1 (unknown origin) using beta-D-[1-14C]glucocerebroside assessed as 4-methylumbelliferrone by fluorimetry				J Med Chem 57: 9096-104 (2014) Article DOI: 10.1021/jm501181z BindingDB Entry DOI: 10.7270/Q20003PT
					More data for this Ligand-Target Pair