BDBM50364082 CHEMBL1950829
SMILES: COCCCNc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C
InChI Key: InChIKey=OAGUACDMKFCQII-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364082 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)) | BDBM50364082
(CHEMBL1950829)Show SMILES COCCCNc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C26H36N4O4S/c1-26(2,3)25-29-22-16-20(6-7-23(22)30(25)18-19-9-14-34-15-10-19)35(31,32)21-8-12-28-24(17-21)27-11-5-13-33-4/h6-8,12,16-17,19H,5,9-11,13-15,18H2,1-4H3,(H,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description Agonist activity at human CB2 receptor |
Bioorg Med Chem Lett 22: 547-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.091 BindingDB Entry DOI: 10.7270/Q2JW8FBF |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364082
(CHEMBL1950829)Show SMILES COCCCNc1cc(ccn1)S(=O)(=O)c1ccc2n(CC3CCOCC3)c(nc2c1)C(C)(C)C Show InChI InChI=1S/C26H36N4O4S/c1-26(2,3)25-29-22-16-20(6-7-23(22)30(25)18-19-9-14-34-15-10-19)35(31,32)21-8-12-28-24(17-21)27-11-5-13-33-4/h6-8,12,16-17,19H,5,9-11,13-15,18H2,1-4H3,(H,27,28) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | n/a | n/a | 955 | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description Agonist activity at human CB1 receptor |
Bioorg Med Chem Lett 22: 547-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.091 BindingDB Entry DOI: 10.7270/Q2JW8FBF |
More data for this Ligand-Target Pair | |