BDBM50364095 CHEMBL1950921
SMILES: COCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1
InChI Key: InChIKey=WJIGHUGYXGIACQ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364095 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)) | BDBM50364095
(CHEMBL1950921)Show SMILES COCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1 Show InChI InChI=1S/C24H34F3N3O4S/c1-23(2,3)22-28-19-14-18(35(32,33)13-5-10-24(25,26)27)6-7-20(19)30(22)15-17-8-11-29(12-9-17)21(31)16-34-4/h6-7,14,17H,5,8-13,15-16H2,1-4H3 | 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 | 1.59E+3 | 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)) | BDBM50364095
(CHEMBL1950921)Show SMILES COCC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)CCCC(F)(F)F)C(C)(C)C)CC1 Show InChI InChI=1S/C24H34F3N3O4S/c1-23(2,3)22-28-19-14-18(35(32,33)13-5-10-24(25,26)27)6-7-20(19)30(22)15-17-8-11-29(12-9-17)21(31)16-34-4/h6-7,14,17H,5,8-13,15-16H2,1-4H3 | 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 | >1.00E+4 | 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 | |