BDBM50309044 CHEMBL591066::N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
SMILES: CC(=O)NCC[C@@H]1CC[C@H](N(C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChI Key: InChIKey=FIAGELNNSOFVJH-BTYIYWSLSA-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 1 (Homo sapiens (Human)) | BDBM50309044 (CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 42 | 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 CB1 receptor | Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50309044 (CHEMBL591066 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.40E+3 | 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: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z | |||||||||||
More data for this Ligand-Target Pair |