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BDBM50428092 CHEMBL32362::tetrahydro-magnolol

SMILES: CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O

InChI Key: InChIKey=OYAQUBKYAKSHOA-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50428092   
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))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
416n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
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2.26E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
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Article
PubMed
n/an/an/an/a 170n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 10...


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50428092
PNG
(CHEMBL32362 | tetrahydro-magnolol)
Show SMILES CCCc1ccc(O)c(c1)-c1cc(CCC)ccc1O
Show InChI InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.01E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 5 mins ...


ACS Med Chem Lett 4: 41-5 (2013)


Article DOI: 10.1021/ml300235q
BindingDB Entry DOI: 10.7270/Q2SF2XHW
More data for this
Ligand-Target Pair