BDBM50213903 3-[(Z)-2-ethoxy-phenylimino]-2-thia-4-aza-spiro[5.5]undecane-4-carbodithioic acid methyl ester::CHEMBL232130
SMILES: CCOc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
InChI Key: InChIKey=SXFGFUVAZIUCCH-JZJYNLBNSA-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)) | BDBM50213903 (3-[(Z)-2-ethoxy-phenylimino]-2-thia-4-aza-spiro[5....) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.30 | 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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50213903 (3-[(Z)-2-ethoxy-phenylimino]-2-thia-4-aza-spiro[5....) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 358 | 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 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5 | |||||||||||
More data for this Ligand-Target Pair |