Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.8 BDBM67780Purchase

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)	BDBM67780 (5-chloranyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl...) Show SMILES COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12 Show InChI InChI=1S/C14H11ClN2O3S2/c1-19-7-3-4-8(20-2)12-11(7)16-14(22-12)17-13(18)9-5-6-10(15)21-9/h3-6H,1-2H3,(H,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.70E+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)	BDBM67780 (5-chloranyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl...) Show SMILES COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12 Show InChI InChI=1S/C14H11ClN2O3S2/c1-19-7-3-4-8(20-2)12-11(7)16-14(22-12)17-13(18)9-5-6-10(15)21-9/h3-6H,1-2H3,(H,16,17,18)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.70E+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))	BDBM67780 (5-chloranyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl...) Show SMILES COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12 Show InChI InChI=1S/C14H11ClN2O3S2/c1-19-7-3-4-8(20-2)12-11(7)16-14(22-12)17-13(18)9-5-6-10(15)21-9/h3-6H,1-2H3,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt antibodypedia 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/Q2NK3CGB
					More data for this Ligand-Target Pair