BDBM50261417 CHEMBL3359677

SMILES: OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=IBWPCRZCROGJCY-ZOBORPQBSA-N

Data: 2 KI  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 4 hits for monomerid = 50261417   

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))	BDBM50261417 (CHEMBL3359677) Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0600	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)	BDBM50261417 (CHEMBL3359677) Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	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 (Aspergillus oryzae)	BDBM50261417 (CHEMBL3359677) Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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))	BDBM50261417 (CHEMBL3359677) Show SMILES OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N2O4/c18-9-11-12(19)13(20)14(21)15(17-11)16-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-14,18-21H,4,7-9H2,(H,16,17)/t11-,12+,13+,14-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	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