BDBM50051701 3-[Bis-(2-chloro-ethyl)-amino]-N-(2-dimethylamino-ethyl)-2,6-dinitro-benzamide::CHEMBL22212

SMILES: CN(C)CCNC(=O)c1c(ccc(N(CCCl)CCCl)c1[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=PSFSTGUTQMCFOL-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 = 50051701   

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)	BDBM50051701 (3-[Bis-(2-chloro-ethyl)-amino]-N-(2-dimethylamino-...) Show SMILES CN(C)CCNC(=O)c1c(ccc(N(CCCl)CCCl)c1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C15H21Cl2N5O5/c1-19(2)10-7-18-15(23)13-11(21(24)25)3-4-12(14(13)22(26)27)20(8-5-16)9-6-17/h3-4H,5-10H2,1-2H3,(H,18,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.95E+5	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