BDBM50256319 CHEMBL519288::methyl 3-(3-(3-ethylpentan-3-yl)isoxazol-5-ylimino)-2-oxa-4-azaspiro[5.5]undecane-4-carbodithioate
SMILES: CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1
InChI Key: InChIKey=XVMQWFQVWAELNC-PYCFMQQDSA-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)) | BDBM50256319 (CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd Curated by ChEMBL | Assay Description Binding affinity to human CB2 receptor | Bioorg Med Chem Lett 18: 6444-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50256319 (CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd Curated by ChEMBL | Assay Description Binding affinity to human CB1 receptor | Bioorg Med Chem Lett 18: 6444-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.070 BindingDB Entry DOI: 10.7270/Q20V8CNB | |||||||||||
More data for this Ligand-Target Pair |