new BindingDB logo
myBDB logout

BDBM50287934 (6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-methylene-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol::CHEMBL57802::THC, delta 9, 11

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

InChI Key: InChIKey=URVMMMGKKYFPET-WOJBJXKFSA-N

Data: 3 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 3 hits for monomerid = 50287934   
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


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
0.580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.


Bioorg Med Chem Lett 6: 189-194 (1996)


Article DOI: 10.1016/0960-894X(95)00573-C
BindingDB Entry DOI: 10.7270/Q2KS6RHX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50287934
PNG
((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-6,6-dimethyl-9-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h15-16,19-20,26H,2,7-14H2,1,3-6H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
236n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 218-26 (1993)


BindingDB Entry DOI: 10.7270/Q2HH6HM0
More data for this
Ligand-Target Pair