BDBM47995 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one::2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one::2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one::2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-1H-1,2-benzisothiazole-1,1,3(2H)-trione::MLS000850454::SMR000456472::cid_2815175

SMILES: O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1

InChI Key: InChIKey=CJGJEVXIKXIDEQ-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 47995   

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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM47995 (2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...) Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	816	n/a	n/a	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25T3HXW
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM47995 (2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...) Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	<160	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair
XBP1 (Homo sapiens (Human))	BDBM47995 (2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...) Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	510	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
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM47995 (2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...) Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.63E+3	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)	BDBM47995 (2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-ket...) Show SMILES O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C18H15NO6S/c20-14(12-6-7-15-16(10-12)25-9-3-8-24-15)11-19-18(21)13-4-1-2-5-17(13)26(19,22)23/h1-2,4-7,10H,3,8-9,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.63E+3	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