Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.5 BDBM68194

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)	BDBM68194 (3-[4-[(2,5-difluorobenzyl)amino]-3-nitro-phenyl]-3...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H24F2N4O4/c29-21-9-10-23(30)20(12-21)16-32-24-11-8-19(13-26(24)34(37)38)25(15-27(31)35)33-28(36)14-18-6-3-5-17-4-1-2-7-22(17)18/h1-13,25,32H,14-16H2,(H2,31,35)(H,33,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	300	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)	BDBM68194 (3-[4-[(2,5-difluorobenzyl)amino]-3-nitro-phenyl]-3...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H24F2N4O4/c29-21-9-10-23(30)20(12-21)16-32-24-11-8-19(13-26(24)34(37)38)25(15-27(31)35)33-28(36)14-18-6-3-5-17-4-1-2-7-22(17)18/h1-13,25,32H,14-16H2,(H2,31,35)(H,33,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	300	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))	BDBM68194 (3-[4-[(2,5-difluorobenzyl)amino]-3-nitro-phenyl]-3...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H24F2N4O4/c29-21-9-10-23(30)20(12-21)16-32-24-11-8-19(13-26(24)34(37)38)25(15-27(31)35)33-28(36)14-18-6-3-5-17-4-1-2-7-22(17)18/h1-13,25,32H,14-16H2,(H2,31,35)(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.18E+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/Q2NK3CGB
					More data for this Ligand-Target Pair