Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.4 BDBM54242Purchase

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
Tumor necrosis factor (Homo sapiens (Human))	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25M6443
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q23R0R8T
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.75E+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)	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	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)	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM54242 (1-[5-(2-Ethylsulfanyl-ethyl)-[1,3,4]thiadiazol-2-y...) Show SMILES CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C14H15F3N4OS2/c1-2-23-7-6-11-20-21-13(24-11)19-12(22)18-10-5-3-4-9(8-10)14(15,16)17/h3-5,8H,2,6-7H2,1H3,(H2,18,19,21,22)	PDB MMDB 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	2.16E+3	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CN72C0
					More data for this Ligand-Target Pair