BDBM59531 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoranyl-4-methyl-phenyl)-5-nitro-3-oxidanyl-1,2,3-triazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitro-4-triazolimine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-3-hydroxy-5-nitrotriazol-4-imine::2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluoro-4-methylphenyl)-5-nitro-2H-1,2,3-triazol-4-amine 3-oxide::MLS000871736::SMR000309255::[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-5-nitro-triazol-4-ylidene]-(3-fluoro-4-methyl-phenyl)amine::cid_15996839

SMILES: Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O

InChI Key: InChIKey=BQFQOFXRMVHCMT-MNDPQUGUSA-N

Data: 6 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 7 hits for monomerid = 59531   

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
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	842	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.48E+3	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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.54E+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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2794387
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.59E+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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q28914F2
					More data for this Ligand-Target Pair
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human))	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.24E+3	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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2C24V0K
					More data for this Ligand-Target Pair
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM59531 (2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-fluorany...) Show SMILES Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O Show InChI InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.50E+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) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V
					More data for this Ligand-Target Pair