Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.5 BDBM68196

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68196 (3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68196 (3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68196 (3-[4-[(4-fluorobenzyl)amino]-3-nitro-phenyl]-3-[[2...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H25FN4O4/c29-22-11-8-18(9-12-22)17-31-24-13-10-21(14-26(24)33(36)37)25(16-27(30)34)32-28(35)15-20-6-3-5-19-4-1-2-7-23(19)20/h1-14,25,31H,15-17H2,(H2,30,34)(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair