Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.2 BDBM76785

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

Found 3 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
Caspase-3 (Homo sapiens (Human))	BDBM76785 (3-(3,5-dimethoxyphenyl)-2-benzopyran-1-one | 3-(3,...) Show SMILES COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1 Show InChI InChI=1S/C17H14O4/c1-19-13-7-12(8-14(10-13)20-2)16-9-11-5-3-4-6-15(11)17(18)21-16/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.03E+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
Sentrin-specific protease 8 (Homo sapiens (Human))	BDBM76785 (3-(3,5-dimethoxyphenyl)-2-benzopyran-1-one | 3-(3,...) Show SMILES COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1 Show InChI InChI=1S/C17H14O4/c1-19-13-7-12(8-14(10-13)20-2)16-9-11-5-3-4-6-15(11)17(18)21-16/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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))	BDBM76785 (3-(3,5-dimethoxyphenyl)-2-benzopyran-1-one | 3-(3,...) Show SMILES COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1 Show InChI InChI=1S/C17H14O4/c1-19-13-7-12(8-14(10-13)20-2)16-9-11-5-3-4-6-15(11)17(18)21-16/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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