BDBM50242068 CHEMBL512479::alpha-5-C-(3-Hydroxybutyl)-7-epi-australine

SMILES: CC(O)CC[C@@H]1C[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12

InChI Key: InChIKey=AITZGXDKERIISX-OTEIUPQTSA-N

Data: 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 1 hit for monomerid = 50242068   

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
β-galactosidase (Bos taurus (Bovine))	BDBM50242068 (CHEMBL512479 | alpha-5-C-(3-Hydroxybutyl)-7-epi-au...) Show SMILES CC(O)CC[C@@H]1C[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 |r| Show InChI InChI=1S/C12H23NO5/c1-6(15)2-3-7-4-9(16)10-12(18)11(17)8(5-14)13(7)10/h6-12,14-18H,2-5H2,1H3/t6?,7-,8-,9-,10-,11-,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase by spectrophotometry				J Nat Prod 67: 846-50 (2004) Article DOI: 10.1021/np0499721 BindingDB Entry DOI: 10.7270/Q2Q52PD8
					More data for this Ligand-Target Pair