Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.3 BDBM50507Purchase

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

Found 8 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)	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	930	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)	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	930	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 dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+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: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-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 (2009) BindingDB Entry DOI: 10.7270/Q2C827QV
					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
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 (2011) BindingDB Entry DOI: 10.7270/Q2CZ35ND
					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM50507 (1-(1,1-diketo-4-tosyl-2,5-dihydrothiophen-3-yl)eth...) Show SMILES CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3| Show InChI InChI=1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3	PDB 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	9.12E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GF0S4R
					More data for this Ligand-Target Pair