Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.8 BDBM67830Purchase

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))	BDBM67830 (4-chloranyl-N-(3,5-dimethylphenyl)-3-ethoxy-benzen...) Show SMILES CCOc1cc(ccc1Cl)S(=O)(=O)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	880	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)	BDBM67830 (4-chloranyl-N-(3,5-dimethylphenyl)-3-ethoxy-benzen...) Show SMILES CCOc1cc(ccc1Cl)S(=O)(=O)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	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)	BDBM67830 (4-chloranyl-N-(3,5-dimethylphenyl)-3-ethoxy-benzen...) Show SMILES CCOc1cc(ccc1Cl)S(=O)(=O)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C16H18ClNO3S/c1-4-21-16-10-14(5-6-15(16)17)22(19,20)18-13-8-11(2)7-12(3)9-13/h5-10,18H,4H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	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