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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'adolfs' and Initial = 'tj'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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7n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50230537
PNG
((S)-3-(4-chlorophenyl)-N'-(4-chlorophenylsulfonyl)...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86831
PNG
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES C1CC(CN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14)
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10n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86826
PNG
((S)-5-(5-methoxypyridin-3-yl)-N-methylpent-4-en-2-...)
Show SMILES CNC(C)CC=Cc1cncc(OC)c1
Show InChI InChI=1S/C12H18N2O/c1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11/h4,6-10,13H,5H2,1-3H3
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11n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138899
PNG
(3-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-9-5-8-19(25)14-20)29-15-21(16-6-3-2-4-7-16)22(27-29)17-10-12-18(24)13-11-17/h2-14,21H,15H2,1H3,(H,26,28)
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13.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163112
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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14n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86831
PNG
((+/-)-2-(pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridin...)
Show SMILES C1CC(CN1)c1cc2cccnc2[nH]1
Show InChI InChI=1S/C11H13N3/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1/h1-2,4,6,9,12H,3,5,7H2,(H,13,14)
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16n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138902
PNG
(CHEMBL160767 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(=N)NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18Cl2N4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)
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16.1n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138903
PNG
(CHEMBL350924 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CSC(=NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H19ClF3N3O2S2/c1-34-23(30-35(32,33)20-13-9-18(10-14-20)24(26,27)28)31-15-21(16-5-3-2-4-6-16)22(29-31)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3
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16.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163139
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H22Cl3N3O/c1-13-22(24(31)28-21-11-14-2-3-15(21)10-14)29-23(19-9-6-17(26)12-20(19)27)30(13)18-7-4-16(25)5-8-18/h4-9,12,14-15,21H,2-3,10-11H2,1H3,(H,28,31)
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19n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138897
PNG
(CHEMBL351123 | Naphthalene-2-sulfonic acid 1-[3-(4...)
Show SMILES CN=C(NS(=O)(=O)c1ccc2ccccc2c1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C27H23ClN4O2S/c1-29-27(31-35(33,34)24-16-13-19-7-5-6-10-22(19)17-24)32-18-25(20-8-3-2-4-9-20)26(30-32)21-11-14-23(28)15-12-21/h2-17,25H,18H2,1H3,(H,29,31)
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21.8n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138921
PNG
(CHEMBL158138 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN4O3S/c1-26-24(28-33(30,31)21-14-12-20(32-2)13-15-21)29-16-22(17-6-4-3-5-7-17)23(27-29)18-8-10-19(25)11-9-18/h3-15,22H,16H2,1-2H3,(H,26,28)
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22.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163132
PNG
(5-Bromo-1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(Br)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18BrCl3N4O/c22-19-18(21(30)27-28-10-2-1-3-11-28)26-20(16-9-6-14(24)12-17(16)25)29(19)15-7-4-13(23)5-8-15/h4-9,12H,1-3,10-11H2,(H,27,30)
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23n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50140220
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl3N4O/c22-14-4-7-16(8-5-14)28-13-19(21(29)26-27-10-2-1-3-11-27)25-20(28)17-9-6-15(23)12-18(17)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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23n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50172907
PNG
(3,4-diarylpyrazoline derivative | CHEMBL383580)
Show SMILES CN=C(NS(=O)(=O)N1CCSCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H24ClN5O2S2/c1-23-21(25-31(28,29)26-11-13-30-14-12-26)27-15-19(16-5-3-2-4-6-16)20(24-27)17-7-9-18(22)10-8-17/h2-10,19H,11-15H2,1H3,(H,23,25)
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24n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138912
PNG
(CHEMBL156556 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C25H25ClN4O2S/c1-16-13-17(2)24(18(3)14-16)33(31,32)29-25(27)30-15-22(19-7-5-4-6-8-19)23(28-30)20-9-11-21(26)12-10-20/h4-14,22H,15H2,1-3H3,(H2,27,29)
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24.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
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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25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
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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25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
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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25n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86833
PNG
(CAS_5310967 | Methyl-((E)-4-pyridin-3-yl-but-3-eny...)
Show SMILES CNCCC=Cc1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3
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26n/an/an/an/an/an/an/an/a



Solvay Pharmaceuticals

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 188-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.101
BindingDB Entry DOI: 10.7270/Q2C827W3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163119
PNG
(5-Chloro-1-(4-chloro-phenyl)-2-(2,4-dichloro-pheny...)
Show SMILES Clc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18Cl4N4O/c22-13-4-7-15(8-5-13)29-19(25)18(21(30)27-28-10-2-1-3-11-28)26-20(29)16-9-6-14(23)12-17(16)24/h4-9,12H,1-3,10-11H2,(H,27,30)
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27n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163111
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-20(17-9-6-15(23)12-18(17)24)28(13)16-7-4-14(22)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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27n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163140
PNG
(2-(2,4-Dichloro-phenyl)-5-methyl-1-(4-trifluoromet...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(cc1)C(F)(F)F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl2F3N4O/c1-14-20(22(33)30-31-11-3-2-4-12-31)29-21(18-10-7-16(24)13-19(18)25)32(14)17-8-5-15(6-9-17)23(26,27)28/h5-10,13H,2-4,11-12H2,1H3,(H,30,33)
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29n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163122
PNG
(1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CCCCC2)c1C#N)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11H2,(H,28,31)
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30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50172899
PNG
(3,4-diarylpyrazoline derivative | CHEMBL195050)
Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
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30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163120
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50172906
PNG
(3,4-diarylpyrazoline derivative | CHEMBL371829)
Show SMILES CN=C(NS(=O)(=O)N(C)C(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H26ClN5O2S/c1-15(2)26(4)30(28,29)25-21(23-3)27-14-19(16-8-6-5-7-9-16)20(24-27)17-10-12-18(22)13-11-17/h5-13,15,19H,14H2,1-4H3,(H,23,25)
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32n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163138
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c1-13-20(22(29)26-16-4-2-3-5-16)27-21(18-11-8-15(24)12-19(18)25)28(13)17-9-6-14(23)7-10-17/h6-12,16H,2-5H2,1H3,(H,26,29)
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33n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163117
PNG
(CHEMBL175291 | [1-(4-Chloro-phenyl)-2-(2,4-dichlor...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C26H20Cl3N3O/c1-16-24(26(33)31-13-12-17-4-2-3-5-18(17)15-31)30-25(22-11-8-20(28)14-23(22)29)32(16)21-9-6-19(27)7-10-21/h2-11,14H,12-13,15H2,1H3
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34n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163115
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-17-5-3-2-4-6-17)28-22(19-12-9-16(25)13-20(19)26)29(14)18-10-7-15(24)8-11-18/h7-13,17H,2-6H2,1H3,(H,27,30)
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35n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163126
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)28-18-6-4-2-3-5-7-18)29-23(20-13-10-17(26)14-21(20)27)30(15)19-11-8-16(25)9-12-19/h8-14,18H,2-7H2,1H3,(H,28,31)
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35n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138915
PNG
(CHEMBL156264 | N-[1-[(S)-3-(4-Chloro-phenyl)-4-phe...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-13-9-18(10-14-20)24(26,27)28)32-15-21(16-5-3-2-4-6-16)22(30-32)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,29,31)/t21-/m1/s1
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35.9n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163136
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-fluo...)
Show SMILES FCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H20Cl3FN4O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11,13H2,(H,28,31)
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36n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138900
PNG
(CHEMBL157591 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H20ClF3N4O2S/c1-29-23(31-35(33,34)20-9-5-8-18(14-20)24(26,27)28)32-15-21(16-6-3-2-4-7-16)22(30-32)17-10-12-19(25)13-11-17/h2-14,21H,15H2,1H3,(H,29,31)
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36.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50140232
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C24H23Cl3N4O/c1-14-22(24(32)29-30-12-15-3-2-4-16(15)13-30)28-23(20-10-7-18(26)11-21(20)27)31(14)19-8-5-17(25)6-9-19/h5-11,15-16H,2-4,12-13H2,1H3,(H,29,32)
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40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163128
PNG
(2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-5-15(23)13-19(18)24)29(14)17-8-6-16(25)7-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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52n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138919
PNG
(CHEMBL158502 | N-[1-Amino-1-[3-(4-chloro-phenyl)-4...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=N)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18ClFN4O2S/c23-17-8-6-16(7-9-17)21-20(15-4-2-1-3-5-15)14-28(26-21)22(25)27-31(29,30)19-12-10-18(24)11-13-19/h1-13,20H,14H2,(H2,25,27)
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52.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50163139
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NC1CC2CCC1C2
Show InChI InChI=1S/C24H22Cl3N3O/c1-13-22(24(31)28-21-11-14-2-3-15(21)10-14)29-23(19-9-6-17(26)12-20(19)27)30(13)18-7-4-16(25)5-8-18/h4-9,12,14-15,21H,2-3,10-11H2,1H3,(H,28,31)
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54n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB2 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138918
PNG
(CHEMBL348174 | N-[1-[3-(4-Chloro-phenyl)-4-phenyl-...)
Show SMILES CN=C(NS(=O)(=O)c1c(C)cc(C)cc1C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C26H27ClN4O2S/c1-17-14-18(2)25(19(3)15-17)34(32,33)30-26(28-4)31-16-23(20-8-6-5-7-9-20)24(29-31)21-10-12-22(27)13-11-21/h5-15,23H,16H2,1-4H3,(H,28,30)
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54.2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163134
PNG
(1-(5-Chloro-pyridin-2-yl)-2-(2,4-dichloro-phenyl)-...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl3N5O/c1-13-19(21(30)27-28-9-3-2-4-10-28)26-20(16-7-5-14(22)11-17(16)24)29(13)18-8-6-15(23)12-25-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,30)
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55n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50312823
PNG
((S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(piper...)
Show SMILES CNC(=NS(=O)(=O)N1CCCCC1)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H26ClN5O2S/c1-24-22(26-31(29,30)27-14-6-3-7-15-27)28-16-20(17-8-4-2-5-9-17)21(25-28)18-10-12-19(23)13-11-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3,(H,24,26)/t20-/m1/s1
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58n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163129
PNG
(1-(4-Bromo-phenyl)-2-(2,4-dichloro-phenyl)-5-methy...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50172897
PNG
(3,4-diarylpyrazoline derivative | CHEMBL194566)
Show SMILES CCN(CC)S(=O)(=O)NC(=NC(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H30ClN5O2S/c1-5-28(6-2)32(30,31)27-23(25-17(3)4)29-16-21(18-10-8-7-9-11-18)22(26-29)19-12-14-20(24)15-13-19/h7-15,17,21H,5-6,16H2,1-4H3,(H,25,27)
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60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163124
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-22(19-11-8-17(25)14-20(19)26)30(15)18-9-6-16(24)7-10-18/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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64n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138923
PNG
(4-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES C\N=C(/NC(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C24H20Cl2N4O/c1-27-24(28-23(31)18-9-13-20(26)14-10-18)30-15-21(16-5-3-2-4-6-16)22(29-30)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,27,28,31)
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70.6n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50172910
PNG
(3,4-diarylpyrazoline derivative | CHEMBL194351)
Show SMILES CN=C(NS(=O)(=O)N1CCOCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C21H24ClN5O3S/c1-23-21(25-31(28,29)26-11-13-30-14-12-26)27-15-19(16-5-3-2-4-6-16)20(24-27)17-7-9-18(22)10-8-17/h2-10,19H,11-15H2,1H3,(H,23,25)
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75n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50138909
PNG
(2-Chloro-N-[1-[3-(4-chloro-phenyl)-4-phenyl-4,5-di...)
Show SMILES CN=C(NS(=O)(=O)c1ccccc1Cl)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)21-10-6-5-9-20(21)25)29-15-19(16-7-3-2-4-8-16)22(27-29)17-11-13-18(24)14-12-17/h2-14,19H,15H2,1H3,(H,26,28)
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75.4n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of CP-55,940 binding from recombinant human cannabinoid receptor 1 expressed in CHO cells


J Med Chem 47: 627-43 (2004)


Article DOI: 10.1021/jm031019q
BindingDB Entry DOI: 10.7270/Q2610ZQT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163135
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C21H19Cl3N2O2/c1-12-18(20(27)28-21(2,3)4)25-19(16-10-7-14(23)11-17(16)24)26(12)15-8-5-13(22)6-9-15/h5-11H,1-4H3
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94n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50163133
PNG
(2-(2,4-Dichloro-phenyl)-1-(4-methoxy-phenyl)-5-met...)
Show SMILES COc1ccc(cc1)-n1c(C)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N4O2/c1-15-21(23(30)27-28-12-4-3-5-13-28)26-22(19-11-6-16(24)14-20(19)25)29(15)17-7-9-18(31-2)10-8-17/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,30)
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106n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells


J Med Chem 48: 1823-38 (2005)


Article DOI: 10.1021/jm040843r
BindingDB Entry DOI: 10.7270/Q2251JX2
More data for this
Ligand-Target Pair
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