BDBM108232 1‐isopropyl‐3,5‐dimethyl‐4‐nitrosopyrazole (Substrate 9)

SMILES: CC(C)n1nc(C)c(N=O)c1C

InChI Key: InChIKey=UUECYTLJOJGWJK-UHFFFAOYSA-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 = 108232   

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
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108232 (1‐isopropyl‐3,5‐dimethyl‐4...) Show SMILES CC(C)n1nc(C)c(N=O)c1C Show InChI InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	8.0	37
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair