Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 340.4 BDBM61480Purchase

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
X-box-binding protein 1 (Homo sapiens (Human))	BDBM61480 ((5Z)-3-(1,1-diketothiolan-3-yl)-5-(4-pyridylmethyl...) Show SMILES O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1 Show InChI InChI=1S/C13H12N2O3S3/c16-12-11(7-9-1-4-14-5-2-9)20-13(19)15(12)10-3-6-21(17,18)8-10/h1-2,4-5,7,10H,3,6,8H2/b11-7-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.37E+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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM61480 ((5Z)-3-(1,1-diketothiolan-3-yl)-5-(4-pyridylmethyl...) Show SMILES O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1 Show InChI InChI=1S/C13H12N2O3S3/c16-12-11(7-9-1-4-14-5-2-9)20-13(19)15(12)10-3-6-21(17,18)8-10/h1-2,4-5,7,10H,3,6,8H2/b11-7-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.49E+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/Q2348HSG
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM61480 ((5Z)-3-(1,1-diketothiolan-3-yl)-5-(4-pyridylmethyl...) Show SMILES O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1 Show InChI InChI=1S/C13H12N2O3S3/c16-12-11(7-9-1-4-14-5-2-9)20-13(19)15(12)10-3-6-21(17,18)8-10/h1-2,4-5,7,10H,3,6,8H2/b11-7-	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)	BDBM61480 ((5Z)-3-(1,1-diketothiolan-3-yl)-5-(4-pyridylmethyl...) Show SMILES O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1 Show InChI InChI=1S/C13H12N2O3S3/c16-12-11(7-9-1-4-14-5-2-9)20-13(19)15(12)10-3-6-21(17,18)8-10/h1-2,4-5,7,10H,3,6,8H2/b11-7-	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