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BDBM50328667 (6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,8,10,10ahexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one::CHEMBL1259038

SMILES: CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1

InChI Key: InChIKey=OEZFJNWWAFCVCB-NHCUHLMSSA-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 = 50328667   
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


(MOUSE)
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1 |r|
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
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Article
PubMed
1.60n/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)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1 |r|
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
PDB

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Article
PubMed
3.02n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 53: 6996-7010 (2010)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50328667
PNG
((6aR,10aR)-3-[1-(6-Bromohexyl)cyclopentyl]-6,6a,7,...)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2CC(=O)CC[C@@H]12)C1(CCCCCCBr)CCCC1 |r|
Show InChI InChI=1S/C26H37BrO3/c1-25(2)21-10-9-19(28)17-20(21)24-22(29)15-18(16-23(24)30-25)26(12-6-7-13-26)11-5-3-4-8-14-27/h15-16,20-21,29H,3-14,17H2,1-2H3/t20-,21-/m1/s1
PDB

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Article
PubMed
4.96n/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)


Article DOI: 10.1021/jm100641g
BindingDB Entry DOI: 10.7270/Q2BP030V
More data for this
Ligand-Target Pair