BDBM80068 MLS002693874::SMR001559815::[2-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] acetate::[2-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] ethanoate::acetic acid [2-[3-(3-nitrophenyl)-1-oxoprop-2-enyl]phenyl] ester::acetic acid [2-[3-(3-nitrophenyl)acryloyl]phenyl] ester::cid_252247

SMILES: CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=KHTNQYZKWWXHER-MDZDMXLPSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 80068   

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
Beta-galactosidase (Escherichia coli)	BDBM80068 (MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...) Show SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13NO5/c1-12(19)23-17-8-3-2-7-15(17)16(20)10-9-13-5-4-6-14(11-13)18(21)22/h2-11H,1H3/b10-9+	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
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human))	BDBM80068 (MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...) Show SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13NO5/c1-12(19)23-17-8-3-2-7-15(17)16(20)10-9-13-5-4-6-14(11-13)18(21)22/h2-11H,1H3/b10-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.40E+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
Serine/threonine-protein kinase RIPK2 (Homo sapiens (Human))	BDBM80068 (MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...) Show SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13NO5/c1-12(19)23-17-8-3-2-7-15(17)16(20)10-9-13-5-4-6-14(11-13)18(21)22/h2-11H,1H3/b10-9+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.40E+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
Beta lactamase (Pseudomonas aeruginosa)	BDBM80068 (MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...) Show SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13NO5/c1-12(19)23-17-8-3-2-7-15(17)16(20)10-9-13-5-4-6-14(11-13)18(21)22/h2-11H,1H3/b10-9+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>4.97E+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
FXN frataxin (Aspergillus niger)	BDBM80068 (MLS002693874 | SMR001559815 | [2-[3-(3-nitrophenyl...) Show SMILES CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13NO5/c1-12(19)23-17-8-3-2-7-15(17)16(20)10-9-13-5-4-6-14(11-13)18(21)22/h2-11H,1H3/b10-9+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2PK0DN5
					More data for this Ligand-Target Pair