BDBM11295 1-[(4-chlorobenzene)sulfonyl]-2-nitro-4-(trifluoromethyl)benzene::Compound 1 analog 6

SMILES: [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=ZNNXTHUWLFOGRX-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 11295   

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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11295 (1-[(4-chlorobenzene)sulfonyl]-2-nitro-4-(trifluoro...) Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C13H7ClF3NO4S/c14-9-2-4-10(5-3-9)23(21,22)12-6-1-8(13(15,16)17)7-11(12)18(19)20/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.0	25
National Defense Medical Center					Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...				J Med Chem 49: 5154-61 (2006) Article DOI: 10.1021/jm060207o BindingDB Entry DOI: 10.7270/Q2M906V0
					More data for this Ligand-Target Pair