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BDBM50233609 CHEMBL4074070

SMILES: [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr

InChI Key: InChIKey=VYUSQGGKDIDBKD-QZTJIDSGSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50233609   
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))
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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PC cid
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Similars

PubMed
0.800n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
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PubMed
0.900n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method


J Med Chem 58: 665-81 (2015)


BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50233609
PNG
(CHEMBL4074070)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCBr |r,c:4|
Show InChI InChI=1S/C24H33BrO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
1.20n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 58: 665-81 (2015)


BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair