Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.8 BDBM68013Purchase

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))	BDBM68013 (3-({7-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzoxa...) Show SMILES CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C17H15ClN4O5S/c1-10(23)26-8-2-7-19-13-9-14(28-12-5-3-11(18)4-6-12)15-16(21-27-20-15)17(13)22(24)25/h3-6,9,19H,2,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	750	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)	BDBM68013 (3-({7-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzoxa...) Show SMILES CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C17H15ClN4O5S/c1-10(23)26-8-2-7-19-13-9-14(28-12-5-3-11(18)4-6-12)15-16(21-27-20-15)17(13)22(24)25/h3-6,9,19H,2,7-8H2,1H3	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)	BDBM68013 (3-({7-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzoxa...) Show SMILES CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+]([O-])=O Show InChI InChI=1S/C17H15ClN4O5S/c1-10(23)26-8-2-7-19-13-9-14(28-12-5-3-11(18)4-6-12)15-16(21-27-20-15)17(13)22(24)25/h3-6,9,19H,2,7-8H2,1H3	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