BDBM85420 Glucosamine analog, 1

SMILES: OCC1OC(O)C(NC(=O)c2ccccc2)C(O)C1O

InChI Key: InChIKey=VSGKVJPCJOJUBP-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 85420   

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
Hexokinase (Saccharomyces cerevisiae)	BDBM85420 (Glucosamine analog, 1) Show SMILES OCC1OC(O)C(NC(=O)c2ccccc2)C(O)C1O Show InChI InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+6	n/a	n/a	n/a	n/a	7.6	25
Groupe de Chimie Organique Biologique					Assay Description The assay phosphotransferase activity was followed spectrophotometrically b reduction of NADP in the presence of an excess of glucose-6-phosphate-deh...				J Enzym Inhib 12: 101-21 (1997) Article DOI: 10.3109/14756369709035812 BindingDB Entry DOI: 10.7270/Q2KD1WGF
					More data for this Ligand-Target Pair