BDBM47907 1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-chloranyl-ethanone::2-chloro-1-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[5-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone::MLS001178294::SMR000591908::cid_3859741
SMILES: COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1
InChI Key: InChIKey=DUDITNSSGPGFJY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like protease (Avian infectious bronchitis virus) | BDBM47907 (1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.80E+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 | |||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM47907 (1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 5.06E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hsf1 protein (Mus musculus) | BDBM47907 (1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
More data for this Ligand-Target Pair |