BDBM199129 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-methoxyphenyl)-1-(p-tolyl)-1H-pyrazole-3-carboxylate (4a)

SMILES: COc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O

InChI Key: InChIKey=CAYVYNQKODIEBN-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 = 199129   

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))	BDBM199129 (2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-m...) Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(C)cc1)C(=O)OCCn1c(C)ncc1[N+]([O-])=O Show InChI InChI=1S/C24H23N5O5/c1-16-4-8-19(9-5-16)28-22(18-6-10-20(33-3)11-7-18)14-21(26-28)24(30)34-13-12-27-17(2)25-15-23(27)29(31)32/h4-11,14-15H,12-13H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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