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BDBM50287941 (6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one::(6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-benzo[c]chromen-9-one::CHEMBL947::CPD-109514::Cesamet::NABILONE

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

InChI Key: InChIKey=GECBBEABIDMGGL-RTBURBONSA-N

Data: 7 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 7 hits for monomerid = 50287941   
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))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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Article
1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CB2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse spleen CB2 receptor


J Med Chem 53: 6996-7010 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
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Article
1.84n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
PDB

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Article
2.19n/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)

More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
PDB

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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from rat brain CB1 receptor


J Med Chem 53: 6996-7010 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
PDB

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Article
2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CB1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50287941
PNG
((6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
PDB

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PubMed
22.3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair