BDBM50057442 5-(bis(2-chloroethyl)amino)-4-(methylsulfonyl)-2-nitrobenzamide::5-[Bis-(2-chloro-ethyl)-amino]-4-methanesulfonyl-2-nitro-benzamide::CHEMBL282488

SMILES: CS(=O)(=O)c1cc(c(cc1N(CCCl)CCCl)C(N)=O)[N+]([O-])=O

InChI Key: InChIKey=OXTXZRYNFTYIKL-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 = 50057442   

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)	BDBM50057442 (5-(bis(2-chloroethyl)amino)-4-(methylsulfonyl)-2-n...) Show SMILES CS(=O)(=O)c1cc(c(cc1N(CCCl)CCCl)C(N)=O)[N+]([O-])=O Show InChI InChI=1S/C12H15Cl2N3O5S/c1-23(21,22)11-7-9(17(19)20)8(12(15)18)6-10(11)16(4-2-13)5-3-14/h6-7H,2-5H2,1H3,(H2,15,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+4	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