BDBM85320 GlcN-6-P synthase inhibitor, 13 (racemic mixture)

SMILES: COC(=O)C(N)CCS(C)(=N)=O

InChI Key: InChIKey=PVTUMSPZBIJVFQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 85320   

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
Glucosamine-6- Phosphate Synthase (Candida albicans)	BDBM85320 (GlcN-6-P synthase inhibitor, 13 (racemic mixture)) Show SMILES COC(=O)C(N)CCS(C)(=N)=O Show InChI InChI=1S/C6H15N2O3S/c1-11-6(9)5(7)3-4-12(2,8)10/h5H,3-4,7H2,1-2H3,(H2,8,10)/q-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		1.50E+6	n/a	2.80E+6	n/a	n/a	n/a	n/a	6.85	n/a
Technical University of Gdansk					Assay Description Two assays of GlcN-6-P synthase activity were used 1)determination of GlcN-6_P formation by the modified Elson-Morgan procedure and 2) continuous qua...				Bioorg Chem 25: 283-296 (1997) BindingDB Entry DOI: 10.7270/Q2RB7351
					More data for this Ligand-Target Pair