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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50021607   
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))
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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47n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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150n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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150n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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475n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
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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1.99E+3n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.45E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.45E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50226179
PNG
((+)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4,5-...)
Show SMILES Clc1ccc(cc1)C1CC(=NN1c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 |c:10|
Show InChI InChI=1S/C20H19Cl3N4O2/c21-14-3-1-13(2-4-14)19-12-17(20(28)25-26-7-9-29-10-8-26)24-27(19)18-6-5-15(22)11-16(18)23/h1-6,11,19H,7-10,12H2,(H,25,28)
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2.64E+4n/an/an/an/an/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN552122 from human recombinant CB2 receptor expressed in CHOK1 cells


J Med Chem 50: 5951-66 (2007)


Article DOI: 10.1021/jm061490u
BindingDB Entry DOI: 10.7270/Q2Q81CTK
More data for this
Ligand-Target Pair