BDBM50213888 8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro[4.5]decane-9-carbodithioic acid methyl ester::CHEMBL232929
SMILES: CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C
InChI Key: InChIKey=YJLQIWLIOIXJFX-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)) | BDBM50213888 (8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...) | 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 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)) | BDBM50213888 (8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 541 | 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 |