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PubMed code 21937154

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312599
PNG
(CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)
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Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355892
PNG
(CHEMBL1910035)
Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1
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PubMed
0.200n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355891
PNG
(CHEMBL1910034)
Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1
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PubMed
1.10n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50355892
PNG
(CHEMBL1910035)
Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1
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PubMed
227n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50355891
PNG
(CHEMBL1910034)
Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1
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242n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50312599
PNG
(CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)
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329n/an/an/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells pretreated for 10 mins measured after 3 hrs by scintillation counting


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355892
PNG
(CHEMBL1910035)
Show SMILES Cc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ release afte...


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312599
PNG
(CHEMBL1093735 | N-Cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Cc1ccc(cc1)C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)
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PubMed
n/an/a 2.70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ release afte...


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50355891
PNG
(CHEMBL1910034)
Show SMILES Cc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H31Cl2N3O/c1-18-7-9-19(10-8-18)24(22-12-11-20(26)17-23(22)27)29-13-15-30(16-14-29)25(31)28-21-5-3-2-4-6-21/h7-12,17,21,24H,2-6,13-16H2,1H3,(H,28,31)/t24-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ release afte...


Eur J Med Chem 46: 5310-6 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.030
BindingDB Entry DOI: 10.7270/Q22J6C85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%