BDBM50004681 5-aziridin-1-yl-2,4-dinitro-benzamide::5-aziridinyl-2,4-dinitrobenzamide::CB 1954::CB-1954::CHEMBL23330

SMILES: NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=WOCXQMCIOTUMJV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 5 PDB IDs match 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 2 hits for monomerid = 50004681   

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
Putative nitroreductase (Staphylococcus saprophyticus subsp. saprophyticus ...)	BDBM50004681 (5-aziridin-1-yl-2,4-dinitro-benzamide | 5-aziridin...) Show SMILES NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Binding affinity to Staphylococcus saprophyticus nitroreductase NtrB				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111937
					More data for this Ligand-Target Pair
Modulator of drug activity A (Escherichia coli O157:H7)	BDBM50004681 (5-aziridin-1-yl-2,4-dinitro-benzamide | 5-aziridin...) Show SMILES NC(=O)c1cc(N2CC2)c(cc1[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	890	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