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BDBM50330768 (6aR,10aR)-1-bromo-6,6,9-trimethyl-3-(2-methylheptan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene::CHEMBL1277592

SMILES: CCCCCC(C)(C)c1cc(Br)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1

InChI Key: InChIKey=LAELRIFSGPBQSO-RTBURBONSA-N

Data: 2 KI  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50330768   
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))
BDBM50330768
PNG
((6aR,10aR)-1-bromo-6,6,9-trimethyl-3-(2-methylhept...)
Show SMILES CCCCCC(C)(C)c1cc(Br)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:16|
Show InChI InChI=1S/C24H35BrO/c1-7-8-9-12-23(3,4)17-14-20(25)22-18-13-16(2)10-11-19(18)24(5,6)26-21(22)15-17/h10,14-15,18-19H,7-9,11-13H2,1-6H3/t18-,19-/m1/s1
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PC cid
PC sid
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Article
PubMed
28n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50330768
PNG
((6aR,10aR)-1-bromo-6,6,9-trimethyl-3-(2-methylhept...)
Show SMILES CCCCCC(C)(C)c1cc(Br)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:16|
Show InChI InChI=1S/C24H35BrO/c1-7-8-9-12-23(3,4)17-14-20(25)22-18-13-16(2)10-11-19(18)24(5,6)26-21(22)15-17/h10,14-15,18-19H,7-9,11-13H2,1-6H3/t18-,19-/m1/s1
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Article
PubMed
1.44E+3n/an/an/an/an/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membranes after 1 hr by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50330768
PNG
((6aR,10aR)-1-bromo-6,6,9-trimethyl-3-(2-methylhept...)
Show SMILES CCCCCC(C)(C)c1cc(Br)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:16|
Show InChI InChI=1S/C24H35BrO/c1-7-8-9-12-23(3,4)17-14-20(25)22-18-13-16(2)10-11-19(18)24(5,6)26-21(22)15-17/h10,14-15,18-19H,7-9,11-13H2,1-6H3/t18-,19-/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 28.6n/an/an/an/a



Clemson University

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 1.5 hrs by liquid scintillation...


Bioorg Med Chem 18: 7809-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.061
BindingDB Entry DOI: 10.7270/Q2ZK5HP7
More data for this
Ligand-Target Pair