Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 250.2 BDBM54734Purchase

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

Found 8 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
Amyloid-beta A4 precursor protein-binding family A member 1 (Rattus norvegicus)	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.10E+3	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 (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.76E+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)	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.76E+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
Caspase-1 (Homo sapiens (Human))	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.10E+3	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/Q2TD9VTQ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.01E+4	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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 1 (Homo sapiens (Human))	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+4	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/Q22Z140X
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM54734 ((Z)-4-(3-nitroanilino)-4-oxo-2-butenoic acid methy...) Show SMILES COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C11H10N2O5/c1-18-11(15)6-5-10(14)12-8-3-2-4-9(7-8)13(16)17/h2-7H,1H3,(H,12,14)/b6-5-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair