BDBM51184 2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid::2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid::2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid::2-[[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid::MLS000686386::SMR000313229::cid_2139032::{[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]thio}acetic acid
SMILES: CCCCOc1ccc(cc1)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
InChI Key: InChIKey=WYMPXWBKIMANQJ-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) | BDBM51184![]() (2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)p...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.98E+3 | 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 | |||||||||||||
BZLF2 (Human herpesvirus 4 type 2) | BDBM51184![]() (2-[6-(4-butoxyphenyl)-3-cyano-4-(trifluoromethyl)p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.03E+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: Theodore Jardetzky; Northw... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW | |||||||||||
More data for this Ligand-Target Pair |