BDBM50329781 5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarboxamido)butyl]iminomethylidene]-6-thionojirimycin::CHEMBL1272019

SMILES: CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12

InChI Key: InChIKey=MDLJBLFXOCXLIX-XOMVQKQISA-N

Data: 2 KI

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 = 50329781   

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)	BDBM50329781 (5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarbo...) Show SMILES CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r| Show InChI InChI=1S/C24H34N4O8S2/c1-3-27(4-2)15-8-7-14-11-18(23(33)36-17(14)12-15)38(34,35)26-10-6-5-9-25-24-28-16(13-37-24)19(29)20(30)21(31)22(28)32/h7-8,11-12,16,19-22,26,29-32H,3-6,9-10,13H2,1-2H3/b25-24-/t16-,19-,20+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-glucosidase after 10 to 30 mins				Bioorg Med Chem 18: 7439-45 (2010) Article DOI: 10.1016/j.bmc.2010.09.003 BindingDB Entry DOI: 10.7270/Q2JS9QPK
					More data for this Ligand-Target Pair
α-glucosidase (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50329781 (5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarbo...) Show SMILES CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r| Show InChI InChI=1S/C24H34N4O8S2/c1-3-27(4-2)15-8-7-14-11-18(23(33)36-17(14)12-15)38(34,35)26-10-6-5-9-25-24-28-16(13-37-24)19(29)20(30)21(31)22(28)32/h7-8,11-12,16,19-22,26,29-32H,3-6,9-10,13H2,1-2H3/b25-24-/t16-,19-,20+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase after 10 to 30 mins				Bioorg Med Chem 18: 7439-45 (2010) Article DOI: 10.1016/j.bmc.2010.09.003 BindingDB Entry DOI: 10.7270/Q2JS9QPK
					More data for this Ligand-Target Pair