BDBM50306001 1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)phenylsulfonyl)-6-azaspiro[2.5]octan-1-yl)methanesulfonamide::CHEMBL592895
SMILES: FC(F)(F)S(=O)(=O)NC1CC11CCN(CC1)S(=O)(=O)c1ccccc1S(=O)(=O)c1ccccn1
InChI Key: InChIKey=WQARJMVGKJSAPT-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50306001 (1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)phen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human CB2 receptor | Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50306001 (1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)phen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0 | |||||||||||
More data for this Ligand-Target Pair |