BDBM83225 (4Z)-4-[4-(difluoromethoxy)benzylidene]-2-(m-tolyl)isoquinoline-1,3-quinone::(4Z)-4-[[4-(difluoromethoxy)phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione::(4Z)-4-[[4-[bis(fluoranyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione::MLS000394574::SMR000262023::cid_2467621
SMILES: Cc1cccc(c1)N1C(=O)\C(=C/c2ccc(OC(F)F)cc2)c2ccccc2C1=O
InChI Key: InChIKey=WRUTZGXAQVJCAG-STZFKDTASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta lactamase (Pseudomonas aeruginosa) | BDBM83225 ((4Z)-4-[4-(difluoromethoxy)benzylidene]-2-(m-tolyl...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.90E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Toll-like receptor 9 (Homo sapiens (Human)) | BDBM83225 ((4Z)-4-[4-(difluoromethoxy)benzylidene]-2-(m-tolyl...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.95E+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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P | |||||||||||
More data for this Ligand-Target Pair |