BDBM199142 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-bis(4-chlorophenyl)-1H-pyrazole-3-carboxylate (4n)

SMILES: Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O

InChI Key: InChIKey=KNWIIGHLUGANOL-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 = 199142   

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))	BDBM199142 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1,5-bi...) Show SMILES Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H17Cl2N5O4/c1-14-25-13-21(29(31)32)27(14)10-11-33-22(30)19-12-20(15-2-4-16(23)5-3-15)28(26-19)18-8-6-17(24)7-9-18/h2-9,12-13H,10-11H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.31E+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