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PubMed code 19527048

Compile data set for download or QSAR
Found 19 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


(Rattus norvegicus (rat))
BDBM50295024
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
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3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295029
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES COc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O2/c1-33-24-22(25(32)29-30-13-3-2-4-14-30)28-31(21-12-11-19(26)15-20(21)27)23(24)18-9-7-17(8-10-18)16-5-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,29,32)
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3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295040
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chloro-4-bromophenyl)...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Br)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26BrClN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
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3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295032
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chlorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27ClN4O/c1-17-23(25(31)28-29-15-5-2-6-16-29)27-30(22-8-4-3-7-21(22)26)24(17)20-13-11-19(12-14-20)18-9-10-18/h3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,1H3,(H,28,31)
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4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295041
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-2-20-23(25(32)29-30-13-3-4-14-30)28-31(22-12-11-19(26)15-21(22)27)24(20)18-9-7-17(8-10-18)16-5-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,29,32)
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4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295039
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4O/c1-2-21-24(26(33)30-31-14-4-3-5-15-31)29-32(23-13-12-20(27)16-22(23)28)25(21)19-10-8-18(9-11-19)17-6-7-17/h8-13,16-17H,2-7,14-15H2,1H3,(H,30,33)
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4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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6n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295025
PNG
(5-(4-Cyclobutylphenyl)-1-(2,4-dichlorophenyl)-4-me...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4O/c1-17-24(26(33)30-31-14-3-2-4-15-31)29-32(23-13-12-21(27)16-22(23)28)25(17)20-10-8-19(9-11-20)18-6-5-7-18/h8-13,16,18H,2-7,14-15H2,1H3,(H,30,33)
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7n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295033
PNG
(5-(4-Cyclopropylphenyl)-1-(2-chloro-4-fluorophenyl...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(F)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(27)15-21(22)26)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
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8n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295034
PNG
(5-(4-Cyclopropylphenyl)-1-(2-fluorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27FN4O/c1-17-23(25(31)28-29-15-5-2-6-16-29)27-30(22-8-4-3-7-21(22)26)24(17)20-13-11-19(12-14-20)18-9-10-18/h3-4,7-8,11-14,18H,2,5-6,9-10,15-16H2,1H3,(H,28,31)
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11n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295027
PNG
(5-(4-Cyclohexylphenyl)-1-(2,4-dichlorophenyl)-4-me...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C28H32Cl2N4O/c1-19-26(28(35)32-33-16-6-3-7-17-33)31-34(25-15-14-23(29)18-24(25)30)27(19)22-12-10-21(11-13-22)20-8-4-2-5-9-20/h10-15,18,20H,2-9,16-17H2,1H3,(H,32,35)
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13n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295037
PNG
(5-(4-Cyclopropylphenyl)-1-(2-fluoro-4-chlorophenyl...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26ClFN4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
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14n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295026
PNG
(5-(4-Cyclopentylphenyl)-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H30Cl2N4O/c1-18-25(27(34)31-32-15-5-2-6-16-32)30-33(24-14-13-22(28)17-23(24)29)26(18)21-11-9-20(10-12-21)19-7-3-4-8-19/h9-14,17,19H,2-8,15-16H2,1H3,(H,31,34)
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15n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295028
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-p...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(cc1-c1ccc(cc1)C1CC1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c25-19-10-11-22(20(26)14-19)30-23(18-8-6-17(7-9-18)16-4-5-16)15-21(27-30)24(31)28-29-12-2-1-3-13-29/h6-11,14-16H,1-5,12-13H2,(H,28,31)
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16n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295030
PNG
(5-(4-Cyclopropylphenyl)-1-(2,4-difluorophenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(F)cc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26F2N4O/c1-16-23(25(32)29-30-13-3-2-4-14-30)28-31(22-12-11-20(26)15-21(22)27)24(16)19-9-7-18(8-10-19)17-5-6-17/h7-12,15,17H,2-6,13-14H2,1H3,(H,29,32)
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34n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295035
PNG
(5-(4-Cyclopropylphenyl)-1-phenyl-4-methyl-N-piperi...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H28N4O/c1-18-23(25(30)27-28-16-6-3-7-17-28)26-29(22-8-4-2-5-9-22)24(18)21-14-12-20(13-15-21)19-10-11-19/h2,4-5,8-9,12-15,19H,3,6-7,10-11,16-17H2,1H3,(H,27,30)
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66n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295038
PNG
(5-(4-Cyclopropylphenyl)-1-(4-chlorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27ClN4O/c1-17-23(25(31)28-29-15-3-2-4-16-29)27-30(22-13-11-21(26)12-14-22)24(17)20-9-7-19(8-10-20)18-5-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,28,31)
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79n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295036
PNG
(5-(4-Cyclopropylphenyl)-1-phenyl-4-methyl-N-pirrol...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccccc1)C(=O)NN1CCCC1
Show InChI InChI=1S/C24H26N4O/c1-17-22(24(29)26-27-15-5-6-16-27)25-28(21-7-3-2-4-8-21)23(17)20-13-11-19(12-14-20)18-9-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3,(H,26,29)
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121n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50295031
PNG
(5-(4-Cyclopropylphenyl)-1-(4-fluorophenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C1CC1)-c1ccc(F)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H27FN4O/c1-17-23(25(31)28-29-15-3-2-4-16-29)27-30(22-13-11-21(26)12-14-22)24(17)20-9-7-19(8-10-20)18-5-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,28,31)
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Article
PubMed
190n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum by scintillation spectrometry


J Med Chem 52: 4329-37 (2009)


Article DOI: 10.1021/jm900179y
BindingDB Entry DOI: 10.7270/Q2NG4QN2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%