Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.5 BDBM67709

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

Found 4 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))	BDBM67709 (4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...) Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1 Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.28E+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)	BDBM67709 (4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...) Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1 Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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)	BDBM67709 (4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...) Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1 Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM67709 (4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...) Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1 Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.25E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q22V2DN3
					More data for this Ligand-Target Pair