BDBM50353086 CHEMBL1822940
SMILES: CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12
InChI Key: InChIKey=PEAAKWGEQGHNHJ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50353086 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)) | BDBM50353086
(CHEMBL1822940)Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
Bioorg Med Chem 19: 5698-707 (2011)
Article DOI: 10.1016/j.bmc.2011.07.062 BindingDB Entry DOI: 10.7270/Q2GH9JC3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50353086
(CHEMBL1822940)Show SMILES CCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)[nH]c12 Show InChI InChI=1S/C22H23FN2O4/c1-3-12-29-20-18(28-2)9-6-15-13-17(22(27)25-19(15)20)21(26)24-11-10-14-4-7-16(23)8-5-14/h4-9,13H,3,10-12H2,1-2H3,(H,24,26)(H,25,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Texas
Curated by ChEMBL
| Assay Description Binding affinity to CB1 receptor |
Bioorg Med Chem 19: 5698-707 (2011)
Article DOI: 10.1016/j.bmc.2011.07.062 BindingDB Entry DOI: 10.7270/Q2GH9JC3 |
More data for this Ligand-Target Pair | |