BDBM83264 6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,10,10-trioxothioxanthene-1-carboxamide::6-(4-benzylpiperidino)-N-(2-furfuryl)-9,10,10-triketo-thioxanthene-1-carboxamide::MLS002472279::N-(2-furanylmethyl)-9,10,10-trioxo-6-[4-(phenylmethyl)-1-piperidinyl]-1-thioxanthenecarboxamide::N-(furan-2-ylmethyl)-9,10,10-tris(oxidanylidene)-6-[4-(phenylmethyl)piperidin-1-yl]thioxanthene-1-carboxamide::SMR001395430::cid_44144200
SMILES: O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(cc1S2(=O)=O)N1CCC(Cc2ccccc2)CC1
InChI Key: InChIKey=WPNISZQFBNQRKM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Toll-like receptor 9 (Homo sapiens (Human)) | BDBM83264 (6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.17E+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 | |||||||||||||
Beta lactamase (Pseudomonas aeruginosa) | BDBM83264 (6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-9,...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.40E+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 |