Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 254.2 BDBM43209Purchase

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

Found 6 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)	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.55E+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)	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.55E+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))	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	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
Heat shock factor protein 1 (Mus musculus)	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.59E+3	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
Cell division control protein 42 homolog (Homo sapiens (Human))	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22J698B
					More data for this Ligand-Target Pair
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM43209 (1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazol...) Show SMILES COc1cccc(c1)-n1nnnc1S(C)(=O)=O Show InChI InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3	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	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
					More data for this Ligand-Target Pair