BDBM50057438 5-[(2-Chloro-ethyl)-(2-methanesulfonyl-ethyl)-amino]-2,4-dinitro-benzamide::CHEMBL23558

SMILES: CS(=O)(=O)CCN(CCCl)c1cc(C(N)=O)c(cc1[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=NDIQWRQZDCCRCZ-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 = 50057438   

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
Modulator of drug activity A (Escherichia coli O157:H7)	BDBM50057438 (5-[(2-Chloro-ethyl)-(2-methanesulfonyl-ethyl)-amin...) Show SMILES CS(=O)(=O)CCN(CCCl)c1cc(C(N)=O)c(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C12H15ClN4O7S/c1-25(23,24)5-4-15(3-2-13)10-6-8(12(14)18)9(16(19)20)7-11(10)17(21)22/h6-7H,2-5H2,1H3,(H2,14,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Cytotoxicity in T79-A3 (NR-positive) cell lines				J Med Chem 40: 1270-5 (1997) Article DOI: 10.1021/jm960794l BindingDB Entry DOI: 10.7270/Q26Q1WCS
					More data for this Ligand-Target Pair