new BindingDB logo
myBDB logout

BDBM50066706 (6S,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-6-(2-hydroxy-ethyl)-9-hydroxymethyl-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol::CHEMBL119914

SMILES: CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3[C@](C)(CCO)Oc2c1

InChI Key: InChIKey=PQXOBNRJDNMYDD-STLTWMRASA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066706   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 2


(MOUSE)
BDBM50066706
PNG
((6S,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-6-(2-hydr...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3[C@](C)(CCO)Oc2c1
Show InChI InChI=1S/C26H42O4/c1-5-6-7-8-11-25(2,3)19-15-22(29)24-20-14-18(17-28)9-10-21(20)26(4,12-13-27)30-23(24)16-19/h15-16,18,20-21,27-29H,5-14,17H2,1-4H3/t18-,20-,21-,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Cannabinoid receptor 2 from mouse spleen was measured using [3H]CP-55,940 as radioligand


J Med Chem 41: 3596-608 (1998)


Article DOI: 10.1021/jm960677q
BindingDB Entry DOI: 10.7270/Q26H4GHP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50066706
PNG
((6S,6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-6-(2-hydr...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3[C@](C)(CCO)Oc2c1
Show InChI InChI=1S/C26H42O4/c1-5-6-7-8-11-25(2,3)19-15-22(29)24-20-14-18(17-28)9-10-21(20)26(4,12-13-27)30-23(24)16-19/h15-16,18,20-21,27-29H,5-14,17H2,1-4H3/t18-,20-,21-,26+/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of Hawaii

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Cannabinoid receptor 1 from rat forebrain synaptosomal membranes was measured using [3H]CP-55,940 as radioligand


J Med Chem 41: 3596-608 (1998)


Article DOI: 10.1021/jm960677q
BindingDB Entry DOI: 10.7270/Q26H4GHP
More data for this
Ligand-Target Pair