BDBM50456590 CHEMBL4206239

SMILES: O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O

InChI Key: InChIKey=ALYWSXSJHQVCSB-UPJWGTAASA-N

Data: 4 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 = 50456590   

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
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50456590 (CHEMBL4206239) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C13H16N4O2/c18-12-6-14-11(13(12)19)8-17-7-10(15-16-17)9-4-2-1-3-5-9/h1-5,7,11-14,18-19H,6,8H2/t11-,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins followe...				Eur J Med Chem 138: 532-542 (2017) Article DOI: 10.1016/j.ejmech.2017.06.055 BindingDB Entry DOI: 10.7270/Q2T43WQR
					More data for this Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase (Bos taurus (Bovine))	BDBM50456590 (CHEMBL4206239) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C13H16N4O2/c18-12-6-14-11(13(12)19)8-17-7-10(15-16-17)9-4-2-1-3-5-9/h1-5,7,11-14,18-19H,6,8H2/t11-,12-,13+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured aft...				Eur J Med Chem 138: 532-542 (2017) Article DOI: 10.1016/j.ejmech.2017.06.055 BindingDB Entry DOI: 10.7270/Q2T43WQR
					More data for this Ligand-Target Pair
α-galactosidase (Coffea arabica (Coffee beans))	BDBM50456590 (CHEMBL4206239) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C13H16N4O2/c18-12-6-14-11(13(12)19)8-17-7-10(15-16-17)9-4-2-1-3-5-9/h1-5,7,11-14,18-19H,6,8H2/t11-,12-,13+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of coffee beans alpha-galactosidase using p-nitrophenyl glycopyranoside preincubated for 5 mins followed by substrate addition measured af...				Eur J Med Chem 138: 532-542 (2017) Article DOI: 10.1016/j.ejmech.2017.06.055 BindingDB Entry DOI: 10.7270/Q2T43WQR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50456590 (CHEMBL4206239) Show SMILES O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r| Show InChI InChI=1S/C13H16N4O2/c18-12-6-14-11(13(12)19)8-17-7-10(15-16-17)9-4-2-1-3-5-9/h1-5,7,11-14,18-19H,6,8H2/t11-,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of human lysosomal alpha-galactosidase A using 4-methylumbelliferyl-alpha-D-galactopyranoside as substrate preincubated for 45 mins follow...				Eur J Med Chem 138: 532-542 (2017) Article DOI: 10.1016/j.ejmech.2017.06.055 BindingDB Entry DOI: 10.7270/Q2T43WQR
					More data for this Ligand-Target Pair