BDBM199152 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(3-fluorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate (4x)

SMILES: Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(F)c2)n(n1)-c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=OLCRSHQCJDIABE-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 = 199152   

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
Tyrosyl-tRNA synthetase (TryRS) (Staphylococcus aureus (Firmicutes))	BDBM199152 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(3-f...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2cccc(F)c2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H18FN5O4/c1-15-24-14-21(28(30)31)26(15)10-11-32-22(29)19-13-20(16-6-5-7-17(23)12-16)27(25-19)18-8-3-2-4-9-18/h2-9,12-14H,10-11H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.41E+4	n/a	n/a	n/a	n/a	7.9	n/a
Nanjing University					Assay Description The assays were conducted at 37 °C in a mixture containing 100 mM Tris/Cl pH 7.9, 50 mM KCl, 16 mM MgCl2, 5 mM ATP, 3 mM DTT, 4 mg/ml E. coli MRE600 ...				Chem Biol Drug Des 88: 592-8 (2016) Article DOI: 10.1111/cbdd.12793 BindingDB Entry DOI: 10.7270/Q2V69HDF
					More data for this Ligand-Target Pair