BDBM47908 2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone::MAT-POS-916a2c5a-1::MLS001178292::SMR000591907::cid_3811656
SMILES: COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1
InChI Key: InChIKey=AQTIYCHYBRWPPP-UHFFFAOYSA-N
Data: 4 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) | BDBM47908 (2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.30E+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 | |||||||||||||
Thrombin & trypsin (Homo sapiens (Human)) | BDBM47908 (2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | n/a | n/a | 9.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
Israel Institution of Biological Research | bioRxiv 2021: (2021) | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM47908 (2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...) | 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 | 1.87E+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) | BDBM47908 (2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...) | 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 | 969 | 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 |