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SMILES: CC(=O)Nc1cccc(c1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=GMHDPRHDMOFAGT-FGZHOGPDSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50278418   
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))
BDBM50278418
PNG
(CHEMBL513417 | N-(3-(2-((6aR,10aR)-1-hydroxy-6,6,9...)
Show SMILES CC(=O)Nc1cccc(c1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:22|
Show InChI InChI=1S/C27H33NO3/c1-16-10-11-22-21(12-16)25-23(30)14-19(15-24(25)31-27(22,5)6)26(3,4)18-8-7-9-20(13-18)28-17(2)29/h7-10,13-15,21-22,30H,11-12H2,1-6H3,(H,28,29)/t21-,22-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.6n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50278418
PNG
(CHEMBL513417 | N-(3-(2-((6aR,10aR)-1-hydroxy-6,6,9...)
Show SMILES CC(=O)Nc1cccc(c1)C(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:22|
Show InChI InChI=1S/C27H33NO3/c1-16-10-11-22-21(12-16)25-23(30)14-19(15-24(25)31-27(22,5)6)26(3,4)18-8-7-9-20(13-18)28-17(2)29/h7-10,13-15,21-22,30H,11-12H2,1-6H3,(H,28,29)/t21-,22-/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.7n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


Bioorg Med Chem 17: 2598-606 (2009)


Article DOI: 10.1016/j.bmc.2008.11.059
BindingDB Entry DOI: 10.7270/Q2DJ5FHV
More data for this
Ligand-Target Pair