Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 345.1 BDBM64585Purchase

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)	BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) Show SMILES Cc1cccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1 Show InChI InChI=1S/C17H13BrO3/c1-11-3-2-4-12(9-11)5-7-15(19)14-10-13(18)6-8-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b7-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.49E+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 (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) Show SMILES Cc1cccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1 Show InChI InChI=1S/C17H13BrO3/c1-11-3-2-4-12(9-11)5-7-15(19)14-10-13(18)6-8-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b7-5+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.49E+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/Q28C9TQN
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM64585 (5-bromanyl-3-[(E)-3-(3-methylphenyl)prop-2-enoyl]-...) Show SMILES Cc1cccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1 Show InChI InChI=1S/C17H13BrO3/c1-11-3-2-4-12(9-11)5-7-15(19)14-10-13(18)6-8-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b7-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.40E+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