Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.3 BDBM68036Purchase

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

Found 5 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)	BDBM68036 ((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...) Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	390	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)	BDBM68036 ((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...) Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	390	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))	BDBM68036 ((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...) Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.47E+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/Q2NK3CGB
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM68036 ((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...) Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.53E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM68036 ((E)-3-(5-nitro-2-thienyl)-N-(o-tolyl)acrylamide | ...) Show SMILES Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O Show InChI InChI=1S/C14H12N2O3S/c1-10-4-2-3-5-12(10)15-13(17)8-6-11-7-9-14(20-11)16(18)19/h2-9H,1H3,(H,15,17)/b8-6+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.37E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair