BDBM66126 4-(azepan-1-yl)-7-nitro-benzofurazan::4-Azepan-1-yl-7-nitro-benzo[1,2,5]oxadiazole::7-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazole::7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazole::MLS001209776::SMR000516457::cid_2836642

SMILES: [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12

InChI Key: InChIKey=QXXDTEHNGZLGFT-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 66126   

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
Beta lactamase (Pseudomonas aeruginosa)	BDBM66126 (4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...) Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12 Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2S75DSB
					More data for this Ligand-Target Pair
cardiac alpha tropomyosin (Sus scrofa)	BDBM66126 (4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...) Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12 Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	413	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q21N7ZKB
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM66126 (4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...) Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12 Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HT2MRM
					More data for this Ligand-Target Pair
beta-lactamase (Salmonella enterica subsp. enterica serovar Choler...)	BDBM66126 (4-(azepan-1-yl)-7-nitro-benzofurazan | 4-Azepan-1-...) Show SMILES [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12 Show InChI InChI=1S/C12H14N4O3/c17-16(18)10-6-5-9(11-12(10)14-19-13-11)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NG4P3G
					More data for this Ligand-Target Pair