BDBM50057440 2-[Bis-(2-iodo-ethyl)-amino]-N-(2,3-dihydroxy-propyl)-3,5-dinitro-benzamide::CHEMBL23938

SMILES: OCC(O)CNC(=O)c1cc(cc(c1N(CCI)CCI)[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=VDCWOHWYVUPWSZ-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 = 50057440   

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)	BDBM50057440 (2-[Bis-(2-iodo-ethyl)-amino]-N-(2,3-dihydroxy-prop...) Show SMILES OCC(O)CNC(=O)c1cc(cc(c1N(CCI)CCI)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C14H18I2N4O7/c15-1-3-18(4-2-16)13-11(14(23)17-7-10(22)8-21)5-9(19(24)25)6-12(13)20(26)27/h5-6,10,21-22H,1-4,7-8H2,(H,17,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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