BDBM50364079 CHEMBL1950934
SMILES: CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2nccs2)C(C)(C)C)CC1
InChI Key: InChIKey=QSQPBQDPYZUXET-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50364079 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)) | BDBM50364079
(CHEMBL1950934)Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2nccs2)C(C)(C)C)CC1 Show InChI InChI=1S/C22H28N4O3S2/c1-15(27)25-10-7-16(8-11-25)14-26-19-6-5-17(31(28,29)21-23-9-12-30-21)13-18(19)24-20(26)22(2,3)4/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3 | 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 | 3.43E+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 | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364079
(CHEMBL1950934)Show SMILES CC(=O)N1CCC(Cn2c(nc3cc(ccc23)S(=O)(=O)c2nccs2)C(C)(C)C)CC1 Show InChI InChI=1S/C22H28N4O3S2/c1-15(27)25-10-7-16(8-11-25)14-26-19-6-5-17(31(28,29)21-23-9-12-30-21)13-18(19)24-20(26)22(2,3)4/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3 | 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 | 7.70 | 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 | |