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BDBM50179986 (6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::(6aR,10aR)-3-(4-ethylphenyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol::CHEMBL203131

SMILES: CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=ROYGHGYSWUNXSM-WOJBJXKFSA-N

Data: 5 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 5 hits for monomerid = 50179986   
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))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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PubMed
51.7n/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 2


(MOUSE)
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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51.7n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse spleen CB2 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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PubMed
119n/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


(Rattus norvegicus (rat))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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119n/an/an/an/an/an/an/an/a



National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from rat brain CB1 receptor


Bioorg Med Chem Lett 16: 1616-20 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.026
BindingDB Entry DOI: 10.7270/Q2833RMF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50179986
PNG
((6aR,10aR)-3-(4-ethyl-phenyl)-6,6,9-trimethyl-6a,7...)
Show SMILES CCc1ccc(cc1)-c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:17|
Show InChI InChI=1S/C24H28O2/c1-5-16-7-9-17(10-8-16)18-13-21(25)23-19-12-15(2)6-11-20(19)24(3,4)26-22(23)14-18/h6-10,13-14,19-20,25H,5,11-12H2,1-4H3/t19-,20-/m1/s1
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Article
PubMed
120n/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