BDBM50007082 (E)-2-methoxy-4-(2-nitrovinyl)phenol::2-Methoxy-4-(2-nitro-vinyl)-phenol::2-methoxy-4-(2-nitrovinyl)phenol::CHEMBL309016::cid_638439

SMILES: COc1cc(\C=C\[N+]([O-])=O)ccc1O

InChI Key: InChIKey=XVXCSPJSXIUNQJ-SNAWJCMRSA-N

Data: 9 IC50  2 EC50

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 13 hits for monomerid = 50007082   

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
Galanin receptor 2 (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2D21W05
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Galanin receptor 2 (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2W094B7
					More data for this Ligand-Target Pair
RPL19A (Saccharomyces cerevisiae)	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.18E+3	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: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
endothelial PAS domain-containing protein 1 (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2WS8RVZ
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2XS5T0R
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of recombinant Syk (unknown origin)				Bioorg Med Chem Lett 19: 1944-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.049 BindingDB Entry DOI: 10.7270/Q2WM1D98
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Ltd. Curated by ChEMBL					Assay Description Inhibition of the epidermal growth factor receptor expressed in A431 cell line				J Med Chem 34: 2328-37 (1991) BindingDB Entry DOI: 10.7270/Q24F1RB9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 34: 2328-37 (1991) BindingDB Entry DOI: 10.7270/Q24F1RB9
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM50007082 ((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...) Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2T15278
					More data for this Ligand-Target Pair