Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.3 BDBM68029Purchase

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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM68029 (3-methyl-2,4-dimethylene-1,5-diphenyl-pentane-1,5-...) Show SMILES CC(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1 Show InChI InChI=1S/C20H18O2/c1-14(15(2)19(21)17-10-6-4-7-11-17)16(3)20(22)18-12-8-5-9-13-18/h4-14H,2-3H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	660	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)	BDBM68029 (3-methyl-2,4-dimethylene-1,5-diphenyl-pentane-1,5-...) Show SMILES CC(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1 Show InChI InChI=1S/C20H18O2/c1-14(15(2)19(21)17-10-6-4-7-11-17)16(3)20(22)18-12-8-5-9-13-18/h4-14H,2-3H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	660	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))	BDBM68029 (3-methyl-2,4-dimethylene-1,5-diphenyl-pentane-1,5-...) Show SMILES CC(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1 Show InChI InChI=1S/C20H18O2/c1-14(15(2)19(21)17-10-6-4-7-11-17)16(3)20(22)18-12-8-5-9-13-18/h4-14H,2-3H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.49E+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