BDBM50306526 (6aR,10aR)-6,6,9-trimethyl-1-(methylthio)-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene::CHEMBL602702
SMILES: CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(SC)c1
InChI Key: InChIKey=JZZNBOHHRBHVLJ-QZTJIDSGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50306526 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)) | BDBM50306526
((6aR,10aR)-6,6,9-trimethyl-1-(methylthio)-3-pentyl...)Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(SC)c1 |r,c:16| Show InChI InChI=1S/C22H32OS/c1-6-7-8-9-16-13-19-21(20(14-16)24-5)17-12-15(2)10-11-18(17)22(3,4)23-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 469 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB2 receptor |
Bioorg Med Chem Lett 20: 1424-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.092 BindingDB Entry DOI: 10.7270/Q2PC32GV |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50306526
((6aR,10aR)-6,6,9-trimethyl-1-(methylthio)-3-pentyl...)Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(C)=C[C@H]3c2c(SC)c1 |r,c:16| Show InChI InChI=1S/C22H32OS/c1-6-7-8-9-16-13-19-21(20(14-16)24-5)17-12-15(2)10-11-18(17)22(3,4)23-19/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB1 receptor |
Bioorg Med Chem Lett 20: 1424-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.092 BindingDB Entry DOI: 10.7270/Q2PC32GV |
More data for this Ligand-Target Pair | |