BDBM50364085 CHEMBL1950832
SMILES: CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)c1ccnc(OCCCO)c1
InChI Key: InChIKey=PALXBJLRVCZZDC-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364085 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)) | BDBM50364085
(CHEMBL1950832)Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)c1ccnc(OCCCO)c1 Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-13-32-14-9-18)34(30,31)20-7-10-26-23(16-20)33-12-4-11-29/h5-7,10,15-16,18,29H,4,8-9,11-14,17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.20 | 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)) | BDBM50364085
(CHEMBL1950832)Show SMILES CC(C)(C)c1nc2cc(ccc2n1CC1CCOCC1)S(=O)(=O)c1ccnc(OCCCO)c1 Show InChI InChI=1S/C25H33N3O5S/c1-25(2,3)24-27-21-15-19(5-6-22(21)28(24)17-18-8-13-32-14-9-18)34(30,31)20-7-10-26-23(16-20)33-12-4-11-29/h5-7,10,15-16,18,29H,4,8-9,11-14,17H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.63E+3 | 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 | |