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PubMed code 23357307

Compile data set for download or QSAR
Found 14 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


(Mus musculus (Mouse))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.5n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
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11n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429403
PNG
(CHEMBL2337204)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C\C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13-
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26n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429405
PNG
(CHEMBL2337206)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)CC1CCCCC1
Show InChI InChI=1S/C24H23Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16H,2-6,13H2,1H3
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46n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429404
PNG
(CHEMBL2337205)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(O)CC1CCCCC1
Show InChI InChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
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175n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429401
PNG
(CHEMBL2337202)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(NN1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C23H22Cl3F3N4/c1-14-20(22(23(27,28)29)31-32-11-3-2-4-12-32)30-33(19-10-9-17(25)13-18(19)26)21(14)15-5-7-16(24)8-6-15/h5-10,13,22,31H,2-4,11-12H2,1H3
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287n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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375n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429402
PNG
(CHEMBL2337203)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C/C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13+
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412n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429403
PNG
(CHEMBL2337204)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C\C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13-
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1.95E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429405
PNG
(CHEMBL2337206)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)CC1CCCCC1
Show InChI InChI=1S/C24H23Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16H,2-6,13H2,1H3
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2.23E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
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3.80E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429402
PNG
(CHEMBL2337203)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C/C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13+
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4.00E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429404
PNG
(CHEMBL2337205)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(O)CC1CCCCC1
Show InChI InChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
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4.20E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50429401
PNG
(CHEMBL2337202)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(NN1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C23H22Cl3F3N4/c1-14-20(22(23(27,28)29)31-32-11-3-2-4-12-32)30-33(19-10-9-17(25)13-18(19)26)21(14)15-5-7-16(24)8-6-15/h5-10,13,22,31H,2-4,11-12H2,1H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%