BDBM47871 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-quinolin-2-one::4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinolin-2-one::4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]carbostyril::4-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1H-quinolin-2-one::ERI-UCB-a0b0dbcb-4::MLS000760808::SMR000370919::cid_2449860
SMILES: FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
InChI Key: InChIKey=NKHDYQSOEVSMNT-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like protease (Avian infectious bronchitis virus) | BDBM47871 (4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]car...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.10E+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/Q29K48NM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM47871 (4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]car...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
Israel Institution of Biological Research | Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... | bioRxiv 2021: (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM47871 (4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]car...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 5.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
Israel Institution of Biological Research | Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi... | bioRxiv 2021: (2021) | |||||||||||
More data for this Ligand-Target Pair |