Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.4 BDBM68065Purchase

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

Found 3 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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM68065 ((E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-[...) Show SMILES CC1CCCC(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)C1C Show InChI InChI=1S/C20H25NO5/c1-13-4-3-5-16(14(13)2)21-19(22)11-24-20(23)9-7-15-6-8-17-18(10-15)26-12-25-17/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,21,22)/b9-7+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.23E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68065 ((E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-[...) Show SMILES CC1CCCC(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)C1C Show InChI InChI=1S/C20H25NO5/c1-13-4-3-5-16(14(13)2)21-19(22)11-24-20(23)9-7-15-6-8-17-18(10-15)26-12-25-17/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,21,22)/b9-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.37E+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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68065 ((E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-[...) Show SMILES CC1CCCC(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)C1C Show InChI InChI=1S/C20H25NO5/c1-13-4-3-5-16(14(13)2)21-19(22)11-24-20(23)9-7-15-6-8-17-18(10-15)26-12-25-17/h6-10,13-14,16H,3-5,11-12H2,1-2H3,(H,21,22)/b9-7+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.37E+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