BDBM43895 6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b][1,3]thiazole-2,5,7-trione::6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione::6-p-phenetyl-8-[(E)-styryl]-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione::VU0261239-2-D8::cid_5293297
SMILES: CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O
InChI Key: InChIKey=YJMBQYLDFRZURU-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NS3 (Hepatitis C virus) | BDBM43895 (6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.54E+4 | 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/Q2XS5ST3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human)) | BDBM43895 (6-(4-ethoxyphenyl)-8-[(E)-2-phenylethenyl]-3,4a,7a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay | Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZP44H3 | |||||||||||
More data for this Ligand-Target Pair |