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BDBM50532777 CHEMBL4470925

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

InChI Key: InChIKey=OSVHLUXLWQLPIY-KBAYOESNSA-N

Data: 6 KI  4 EC50

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 10 hits for monomerid = 50532777   
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


(MOUSE)
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor


(MOUSE)
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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3.10n/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 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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3.10n/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 cell membranes by scintillation counting method


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
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n/an/an/an/a 2.5n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (rat))
BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
PDB

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n/an/an/an/a 2.5n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins


J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
More data for this
Ligand-Target Pair