BDBM78218 (E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl ester::(E)-4-keto-4-(3-nitroanilino)but-2-enoic acid ethyl ester::MLS000389828::SMR000256102::cid_2140300::ethyl (E)-4-(3-nitroanilino)-4-oxobut-2-enoate::ethyl (E)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-but-2-enoate

SMILES: CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=QITGDBWGFIEWNY-VOTSOKGWSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 78218   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c)	BDBM78218 ((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.03E+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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM78218 ((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.66E+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 (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM78218 ((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM78218 ((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.66E+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, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD
					More data for this Ligand-Target Pair
TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex) (Saccharomyces cerevisiae S288c)	BDBM78218 ((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...) Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.61E+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, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26D5RGW
					More data for this Ligand-Target Pair