Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.3 BDBM67990Purchase

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)	BDBM67990 (2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-...) Show SMILES CC(C)NC(=O)c1ccccc1NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C19H19N3O4/c1-13(2)20-19(24)16-8-3-4-9-17(16)21-18(23)11-10-14-6-5-7-15(12-14)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23)/b11-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.80E+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)	BDBM67990 (2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-...) Show SMILES CC(C)NC(=O)c1ccccc1NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C19H19N3O4/c1-13(2)20-19(24)16-8-3-4-9-17(16)21-18(23)11-10-14-6-5-7-15(12-14)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23)/b11-10+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.80E+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))	BDBM67990 (2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-...) Show SMILES CC(C)NC(=O)c1ccccc1NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C19H19N3O4/c1-13(2)20-19(24)16-8-3-4-9-17(16)21-18(23)11-10-14-6-5-7-15(12-14)22(25)26/h3-13H,1-2H3,(H,20,24)(H,21,23)/b11-10+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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