Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.2 BDBM79428Purchase

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

Found 2 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-7 (Homo sapiens (Human))	BDBM79428 (2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-benzopyran-4-...) Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2	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	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM79428 (2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-benzopyran-4-...) Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C16H10O5/c17-14-10-3-1-2-4-11(10)21-16(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2	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	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24M9315
					More data for this Ligand-Target Pair