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SMILES: Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccc(F)cc1
InChI Key:
| 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)) | BDBM50556537 (CHEMBL4757488) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Monoacylglycerol lipase ABHD6 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ABHD6 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured afte... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysophosphatidylserine lipase ABHD12 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cannabinoid receptor 1 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
TBA | Assay Description Partial agonist activity at human CB1R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a |
TBA | Assay Description Inverse agonist activity at human CB2R expressed in CHO cell membranes after 90 mins by [35S]GTPgammaS assay | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Fatty-acid amide hydrolase 1 (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate preincubated for 15 mins followed by substrate addition and measured... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Monoglyceride lipase (Homo sapiens (Human)) | BDBM50556537 (CHEMBL4757488) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of MAGL in human U937 cells using [glycerol-1,2,3-3H]2-OG as substrate preincubated for 15 mins followed by substrate addition and measure... | Citation and Details Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
