BDBM50261438 CHEMBL3359122

SMILES: COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=BUJSHVIRKFEOPO-MROQNXINSA-N

Data: 2 KI  1 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 = 50261438   

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-galactosidase/Glucosylceramidase (Bos taurus (Bovine))	BDBM50261438 (CHEMBL3359122) Show SMILES COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O5/c1-21-9-4-2-8(3-5-9)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase pre-incubated for 30 mins with 4-nitrophenyl-beta-D-galactopyranoside substrate before enzyme addition ...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair
Beta-galactosidase (Aspergillus oryzae)	BDBM50261438 (CHEMBL3359122) Show SMILES COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O5/c1-21-9-4-2-8(3-5-9)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of Aspergillus oryzae beta-galactosidase using 2-chloro-4-nitrophenyl beta-Dgalactopyranoside as substrate by spectrophotometry				J Med Chem 57: 8999-9009 (2014) Article DOI: 10.1021/jm501111y BindingDB Entry DOI: 10.7270/Q2VD72DC
					More data for this Ligand-Target Pair
Beta-galactosidase/Glucosylceramidase (Bos taurus (Bovine))	BDBM50261438 (CHEMBL3359122) Show SMILES COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C14H20N2O5/c1-21-9-4-2-8(3-5-9)6-15-14-13(20)12(19)11(18)10(7-17)16-14/h2-5,10-13,17-20H,6-7H2,1H3,(H,15,16)/t10-,11+,12+,13-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside substrate measured over 240 mins at 10 mins intervals by U...				Bioorg Med Chem 25: 5194-5202 (2017) Article DOI: 10.1016/j.bmc.2017.07.020 BindingDB Entry DOI: 10.7270/Q2QF8WBW
					More data for this Ligand-Target Pair