Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.5 BDBM68197

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)	BDBM68197 (3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-[(...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O4/c29-27(33)17-25(31-28(34)16-21-11-6-10-20-9-4-5-12-23(20)21)22-13-14-24(26(15-22)32(35)36)30-18-19-7-2-1-3-8-19/h1-15,25,30H,16-18H2,(H2,29,33)(H,31,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	680	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)	BDBM68197 (3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-[(...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O4/c29-27(33)17-25(31-28(34)16-21-11-6-10-20-9-4-5-12-23(20)21)22-13-14-24(26(15-22)32(35)36)30-18-19-7-2-1-3-8-19/h1-15,25,30H,16-18H2,(H2,29,33)(H,31,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	680	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))	BDBM68197 (3-(2-naphthalen-1-ylethanoylamino)-3-[3-nitro-4-[(...) Show SMILES NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O4/c29-27(33)17-25(31-28(34)16-21-11-6-10-20-9-4-5-12-23(20)21)22-13-14-24(26(15-22)32(35)36)30-18-19-7-2-1-3-8-19/h1-15,25,30H,16-18H2,(H2,29,33)(H,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.25E+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