Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 296.3 BDBM73766Purchase

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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM73766 (Acetic acid 3-[3-oxo-3H-benzo[b]thiophen-(2Z)-ylid...) Show SMILES CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1 Show InChI InChI=1S/C17H12O3S/c1-11(18)20-13-6-4-5-12(9-13)10-16-17(19)14-7-2-3-8-15(14)21-16/h2-10H,1H3/b16-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.32E+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/Q2MS3R7H
					More data for this Ligand-Target Pair
Sentrin-specific protease 6 (Homo sapiens (Human))	BDBM73766 (Acetic acid 3-[3-oxo-3H-benzo[b]thiophen-(2Z)-ylid...) Show SMILES CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1 Show InChI InChI=1S/C17H12O3S/c1-11(18)20-13-6-4-5-12(9-13)10-16-17(19)14-7-2-3-8-15(14)21-16/h2-10H,1H3/b16-10-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.99E+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/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM73766 (Acetic acid 3-[3-oxo-3H-benzo[b]thiophen-(2Z)-ylid...) Show SMILES CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1 Show InChI InChI=1S/C17H12O3S/c1-11(18)20-13-6-4-5-12(9-13)10-16-17(19)14-7-2-3-8-15(14)21-16/h2-10H,1H3/b16-10-	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	2.49E+4	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/Q2RJ4GZT
					More data for this Ligand-Target Pair
Protein LANA1 (Human herpesvirus 8)	BDBM73766 (Acetic acid 3-[3-oxo-3H-benzo[b]thiophen-(2Z)-ylid...) Show SMILES CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1 Show InChI InChI=1S/C17H12O3S/c1-11(18)20-13-6-4-5-12(9-13)10-16-17(19)14-7-2-3-8-15(14)21-16/h2-10H,1H3/b16-10-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2HH6HHN
					More data for this Ligand-Target Pair