Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.7 BDBM61828Purchase

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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM61828 (2-(4-chloranylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl...) Show SMILES [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM61828 (2-(4-chloranylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl...) Show SMILES [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	382	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM61828 (2-(4-chloranylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl...) Show SMILES [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM61828 (2-(4-chloranylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl...) Show SMILES [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.38E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair