BDBM86876 CAS_15998061::N-(2-ethoxybenzyl)-5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methylbenzofuran-2-carboxamide::NSC_15998061
SMILES: CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
InChI Key: InChIKey=WKIPITWCGDNMDT-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 86876 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)) | BDBM86876
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133 BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM86876
(CAS_15998061 | N-(2-ethoxybenzyl)-5-(3,5-dimethylp...)Show SMILES CCOc1ccccc1CNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1 Show InChI InChI=1S/C26H32N2O5S/c1-5-32-23-9-7-6-8-20(23)14-27-26(29)25-19(4)22-13-21(10-11-24(22)33-25)34(30,31)28-15-17(2)12-18(3)16-28/h6-11,13,17-18H,5,12,14-16H2,1-4H3,(H,27,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
Curated by PDSP Ki Database
| |
Bioorg Med Chem Lett 18: 1199-206 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.133 BindingDB Entry DOI: 10.7270/Q20000N4 |
More data for this Ligand-Target Pair | |