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BDBM50213598 2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)-5-(naphthalen-1-yl)benzene-1,3-diol::2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-5-naphthalen-1-yl-benzene-1,3-diol::CHEMBL238570

SMILES: CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12

InChI Key: InChIKey=VEVIHFDYDQIEBJ-GWQXNCQPSA-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 = 50213598   
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))
BDBM50213598
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7|
Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
222n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB2 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213598
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7|
Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1
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PC sid
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Article
PubMed
754n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 50: 2875-85 (2007)


Article DOI: 10.1021/jm0610705
BindingDB Entry DOI: 10.7270/Q2ST7PJ4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213598
PNG
(2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl...)
Show SMILES CC(=C)C1CCC(C)=C[C@H]1c1c(O)cc(cc1O)-c1cccc2ccccc12 |w:3.2,c:7|
Show InChI InChI=1S/C26H26O2/c1-16(2)20-12-11-17(3)13-23(20)26-24(27)14-19(15-25(26)28)22-10-6-8-18-7-4-5-9-21(18)22/h4-10,13-15,20,23,27-28H,1,11-12H2,2-3H3/t20?,23-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
759n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 6754-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.044
BindingDB Entry DOI: 10.7270/Q2QV3Q9M
More data for this
Ligand-Target Pair