Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.4 BDBM67973Purchase

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)	BDBM67973 (MLS000574713 | N-[2-(3,5-dimethylphenoxy)cyclohexy...) Show SMILES Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.11E+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)	BDBM67973 (MLS000574713 | N-[2-(3,5-dimethylphenoxy)cyclohexy...) Show SMILES Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.11E+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))	BDBM67973 (MLS000574713 | N-[2-(3,5-dimethylphenoxy)cyclohexy...) Show SMILES Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C20H25NO3S/c1-15-12-16(2)14-17(13-15)24-20-11-7-6-10-19(20)21-25(22,23)18-8-4-3-5-9-18/h3-5,8-9,12-14,19-21H,6-7,10-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q2NK3CGB
					More data for this Ligand-Target Pair