BDBM199146 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-diphenyl-1H-pyrazole-3-carboxylate (4r)

SMILES: Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=QXPCAMPIAMBDMS-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 = 199146   

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))	BDBM199146 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-di...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C22H19N5O4/c1-16-23-15-21(27(29)30)25(16)12-13-31-22(28)19-14-20(17-8-4-2-5-9-17)26(24-19)18-10-6-3-7-11-18/h2-11,14-15H,12-13H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+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