BDBM32051 3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)benzothiophene-2-carboxamide::3-chloro-N-(1,1-dioxo-3-thiolanyl)-N-(2-furanylmethyl)-1-benzothiophene-2-carboxamide::3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide::MLS000041094::N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-chloranyl-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide::SMR000044688::cid_663898
SMILES: Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
InChI Key: InChIKey=RMFYTABJIVXKKF-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Delta-type opioid receptor (Homo sapiens (Human)) | BDBM32051 (3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.92E+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/Q22V2DN3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock protein HSP 90-alpha (Homo sapiens (Human)) | BDBM32051 (3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q23XM6 | |||||||||||
More data for this Ligand-Target Pair |