BDBM79430 3-[2-[4-(dimethylamino)phenyl]-2-keto-ethyl]-6,7-dimethoxy-phthalide::3-[2-[4-(dimethylamino)phenyl]-2-oxidanylidene-ethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one::3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one::3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-6,7-dimethoxy-3H-isobenzofuran-1-one::MLS000108118::SMR000104080::cid_2864745

SMILES: COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC

InChI Key: InChIKey=TXJFUEJJOGKVSV-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79430   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-7 (Homo sapiens (Human))	BDBM79430 (3-[2-[4-(dimethylamino)phenyl]-2-keto-ethyl]-6,7-d...) Show SMILES COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC Show InChI InChI=1S/C20H21NO5/c1-21(2)13-7-5-12(6-8-13)15(22)11-17-14-9-10-16(24-3)19(25-4)18(14)20(23)26-17/h5-10,17H,11H2,1-4H3	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))	BDBM79430 (3-[2-[4-(dimethylamino)phenyl]-2-keto-ethyl]-6,7-d...) Show SMILES COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC Show InChI InChI=1S/C20H21NO5/c1-21(2)13-7-5-12(6-8-13)15(22)11-17-14-9-10-16(24-3)19(25-4)18(14)20(23)26-17/h5-10,17H,11H2,1-4H3	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