BDBM419188 5-[Difluoro(phenyl)methyl]-7-(1,2,5-triazaspiro[2.4]hept-1-en-5-yl)-3-{[2-(trifluoromethyl)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidine::US10457684, Example 2
SMILES: FC(F)(F)c1ccccc1Cn1nnc2c(nc(nc12)C(F)(F)c1ccccc1)N1CCC2(C1)N=N2
InChI Key: InChIKey=VXQGTMNVLBWCSG-UHFFFAOYSA-N
Data: 2 KI
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)) | BDBM419188 (5-[Difluoro(phenyl)methyl]-7-(1,2,5-triazaspiro[2....) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. US Patent | Assay Description The affinity of the compounds of the invention for cannabinoid receptors was determined using recommended amounts of membrane preparations (PerkinElm... | US Patent US10457684 (2019) BindingDB Entry DOI: 10.7270/Q2HM5BT8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM419188 (5-[Difluoro(phenyl)methyl]-7-(1,2,5-triazaspiro[2....) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 993 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc. US Patent | US Patent US10457684 (2019) BindingDB Entry DOI: 10.7270/Q2HM5BT8 | ||||||||||||
More data for this Ligand-Target Pair |