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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'howlett' and Initial = 'ac'   
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))
BDBM50067497
PNG
((2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hy...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)C[C@H]3CC[C@@H](CO)C[C@H]23)c(O)c1
Show InChI InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


J Med Chem 41: 4207-15 (1998)


Article DOI: 10.1021/jm970239z
BindingDB Entry DOI: 10.7270/Q2C24VK6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/s2
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0.230n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


J Med Chem 41: 4207-15 (1998)


Article DOI: 10.1021/jm970239z
BindingDB Entry DOI: 10.7270/Q2C24VK6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110941
PNG
(1-(2,4-Dichloro-phenyl)-4-methyl-5-(4-pentyl-pheny...)
Show SMILES CCCCCc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C27H32Cl2N4O/c1-3-4-6-9-20-10-12-21(13-11-20)26-19(2)25(27(34)31-32-16-7-5-8-17-32)30-33(26)24-15-14-22(28)18-23(24)29/h10-15,18H,3-9,16-17H2,1-2H3,(H,31,34)
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1n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
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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1.30n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110940
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26Cl3N3O/c1-3-4-5-6-7-14-28-24(31)22-16(2)23(17-8-10-18(25)11-9-17)30(29-22)21-13-12-19(26)15-20(21)27/h8-13,15H,3-7,14H2,1-2H3,(H,28,31)
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3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110942
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl3N3O/c1-3-4-5-12-26-22(29)20-14(2)21(15-6-8-16(23)9-7-15)28(27-20)19-11-10-17(24)13-18(19)25/h6-11,13H,3-5,12H2,1-2H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110937
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-(4-f...)
Show SMILES Cc1c(COCc2ccc(F)cc2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl3FN2O/c1-15-22(14-31-13-16-2-9-20(28)10-3-16)29-30(23-11-8-19(26)12-21(23)27)24(15)17-4-6-18(25)7-5-17/h2-12H,13-14H2,1H3
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6n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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6n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110955
PNG
(5-(4-Acetyl-phenyl)-1-(2-chloro-phenyl)-4-methyl-1...)
Show SMILES CC(=O)c1ccc(cc1)-c1c(C)c(nn1-c1ccccc1Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H20ClN3O2/c1-16-23(25(31)27-20-8-4-3-5-9-20)28-29(22-11-7-6-10-21(22)26)24(16)19-14-12-18(13-15-19)17(2)30/h3-15H,1-2H3,(H,27,31)
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7n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074316
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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7.85n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074313
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22BrCl2N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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15n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074314
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21BrCl2N4O/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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16.8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110936
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19BrCl2N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-28(18-9-8-16(23)12-17(18)24)20(13)14-4-6-15(22)7-5-14/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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17.1n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074321
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19BrCl2N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-6-16(23)12-17(18)24)20(13)14-2-4-15(22)5-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
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19n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110950
PNG
(1-Hexyl-4-methyl-5-phenyl-1H-pyrazole-3-carboxylic...)
Show SMILES CCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C22H32N4O/c1-3-4-5-12-17-26-21(19-13-8-6-9-14-19)18(2)20(23-26)22(27)24-25-15-10-7-11-16-25/h6,8-9,13-14H,3-5,7,10-12,15-17H2,1-2H3,(H,24,27)
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21n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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22n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


J Med Chem 41: 4207-15 (1998)


Article DOI: 10.1021/jm970239z
BindingDB Entry DOI: 10.7270/Q2C24VK6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110953
PNG
(4-Methyl-1-pentyl-5-phenyl-1H-pyrazole-3-carboxyli...)
Show SMILES CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C21H30N4O/c1-3-4-9-16-25-20(18-12-7-5-8-13-18)17(2)19(22-25)21(26)23-24-14-10-6-11-15-24/h5,7-8,12-13H,3-4,6,9-11,14-16H2,1-2H3,(H,23,26)
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23n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110939
PNG
(1-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES CCCCCC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H21Cl3N2O/c1-3-4-5-6-20(28)21-14(2)22(15-7-9-16(23)10-8-15)27(26-21)19-12-11-17(24)13-18(19)25/h7-13H,3-6H2,1-2H3
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25n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074320
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H16BrCl2N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h2-13H,1H3,(H,27,30)
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31.1n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110958
PNG
(1-(4-sec-Butyl-phenyl)-5-(4-chloro-phenyl)-4-methy...)
Show SMILES CCC(C)c1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1/C26H31ClN4O/c1-4-18(2)20-10-14-23(15-11-20)31-25(21-8-12-22(27)13-9-21)19(3)24(28-31)26(32)29-30-16-6-5-7-17-30/h8-15,18H,4-7,16-17H2,1-3H3,(H,29,32)
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37n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110946
PNG
(1-Heptyl-4-methyl-5-phenyl-1H-pyrazole-3-carboxyli...)
Show SMILES CCCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C23H34N4O/c1-3-4-5-6-13-18-27-22(20-14-9-7-10-15-20)19(2)21(24-27)23(28)25-26-16-11-8-12-17-26/h7,9-10,14-15H,3-6,8,11-13,16-18H2,1-2H3,(H,25,28)
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47n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074324
PNG
(1,5-Bis-(4-chloro-phenyl)-4-methyl-1H-pyrazole-3-c...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)
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55n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074318
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H24BrCl2N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3
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56n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110959
PNG
(5-(4-Bromo-phenyl)-4-methyl-1-pentyl-1H-pyrazole-3...)
Show SMILES CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H29BrN4O/c1-3-4-6-15-26-20(17-9-11-18(22)12-10-17)16(2)19(23-26)21(27)24-25-13-7-5-8-14-25/h9-12H,3-8,13-15H2,1-2H3,(H,24,27)
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63n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110947
PNG
(1-(4-Amino-phenyl)-5-(4-chloro-phenyl)-4-methyl-1H...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(N)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H24ClN5O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14,24H2,1H3,(H,26,29)
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72n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110938
PNG
(5-(4-Chloro-phenyl)-3-cyclohexylmethoxymethyl-1-(2...)
Show SMILES Cc1c(COCC2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H25Cl3N2O/c1-16-22(15-30-14-17-5-3-2-4-6-17)28-29(23-12-11-20(26)13-21(23)27)24(16)18-7-9-19(25)10-8-18/h7-13,17H,2-6,14-15H2,1H3
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100n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110945
PNG
(5-(4-Chloro-phenyl)-4-methyl-1-(4-nitro-phenyl)-1H...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)[N+]([O-])=O)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22ClN5O3/c1-15-20(22(29)25-26-13-3-2-4-14-26)24-27(18-9-11-19(12-10-18)28(30)31)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,25,29)
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109n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074309
PNG
(1-(2,4-Dichloro-phenyl)-4-methyl-5-phenyl-1H-pyraz...)
Show SMILES Cc1c(nn(c1-c1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-12-6-3-7-13-27)25-28(19-11-10-17(23)14-18(19)24)21(15)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,26,29)
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123n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50074325
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-methy...)
Show SMILES Cc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCO
Show InChI InChI=1S/C19H16BrCl2N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27)
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165n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110957
PNG
(1-(2,4-Dichloro-phenyl)-5-(4-ethyl-phenyl)-4-methy...)
Show SMILES CCc1ccc(cc1)-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26Cl2N4O/c1-3-17-7-9-18(10-8-17)23-16(2)22(24(31)28-29-13-5-4-6-14-29)27-30(23)21-12-11-19(25)15-20(21)26/h7-12,15H,3-6,13-14H2,1-2H3,(H,28,31)
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183n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110956
PNG
(1-Butyl-4-methyl-5-phenyl-1H-pyrazole-3-carboxylic...)
Show SMILES CCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C20H28N4O/c1-3-4-15-24-19(17-11-7-5-8-12-17)16(2)18(21-24)20(25)22-23-13-9-6-10-14-23/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H,22,25)
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187n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110948
PNG
(1-(2,4-Dichloro-phenyl)-7-nitro-1H-indazole-3-carb...)
Show SMILES [O-][N+](=O)c1cccc2c(nn(-c3ccc(Cl)cc3Cl)c12)C(=O)NN1CCCCC1
Show InChI InChI=1S/C19H17Cl2N5O3/c20-12-7-8-15(14(21)11-12)25-18-13(5-4-6-16(18)26(28)29)17(22-25)19(27)23-24-9-2-1-3-10-24/h4-8,11H,1-3,9-10H2,(H,23,27)
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202n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110952
PNG
(1-(4-Butyl-phenyl)-5-(4-chloro-phenyl)-4-methyl-1H...)
Show SMILES CCCCc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN4O/c1-3-4-8-20-9-15-23(16-10-20)31-25(21-11-13-22(27)14-12-21)19(2)24(28-31)26(32)29-30-17-6-5-7-18-30/h9-16H,3-8,17-18H2,1-2H3,(H,29,32)
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256n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50067498
PNG
((6aS,10aS)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
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360n/an/an/an/an/an/an/an/a



Saint Louis University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 binding to Cannabinoid receptor 1 in rat brain membranes


J Med Chem 41: 4207-15 (1998)


Article DOI: 10.1021/jm970239z
BindingDB Entry DOI: 10.7270/Q2C24VK6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110954
PNG
(1-Cyclohexyl-4-methyl-5-phenyl-1H-pyrazole-3-carbo...)
Show SMILES Cc1c(nn(C2CCCCC2)c1-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H30N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2,5-6,11-12,19H,3-4,7-10,13-16H2,1H3,(H,24,27)
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391n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110951
PNG
(7-Chloro-1-(2,4-dichloro-phenyl)-1H-indazole-3-car...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2cccc(Cl)c12
Show InChI InChI=1S/C19H17Cl3N4O/c20-12-7-8-16(15(22)11-12)26-18-13(5-4-6-14(18)21)17(23-26)19(27)24-25-9-2-1-3-10-25/h4-8,11H,1-3,9-10H2,(H,24,27)
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746n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110949
PNG
(4-Methyl-5-phenyl-1-propyl-1H-pyrazole-3-carboxyli...)
Show SMILES CCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
Show InChI InChI=1S/C19H26N4O/c1-3-12-23-18(16-10-6-4-7-11-16)15(2)17(20-23)19(24)21-22-13-8-5-9-14-22/h4,6-7,10-11H,3,5,8-9,12-14H2,1-2H3,(H,21,24)
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771n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50110944
PNG
(5-(4-Chloro-phenyl)-4-methyl-1-(4-pentyl-phenyl)-1...)
Show SMILES CCCCCc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H33ClN4O/c1-3-4-6-9-21-10-16-24(17-11-21)32-26(22-12-14-23(28)15-13-22)20(2)25(29-32)27(33)30-31-18-7-5-8-19-31/h10-17H,3-9,18-19H2,1-2H3,(H,30,33)
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1.36E+3n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes.


J Med Chem 45: 1447-59 (2002)


Article DOI: 10.1021/jm010267o
BindingDB Entry DOI: 10.7270/Q2222T3Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/a 46n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/a 73n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain Cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 1.1 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/a 160n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50050492
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1ccc(N=C=S)c2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(22-9-10-24(27-18-32)20-6-2-1-5-19(20)22)23-17-29(25-8-4-3-7-21(23)25)12-11-28-13-15-31-16-14-28/h1-10,17H,11-16H2
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n/an/a 440n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50050490
PNG
((6-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2cc(ccc12)N=C=S
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-6-3-4-19-16-20(27-18-32)8-9-21(19)23)24-17-29(25-7-2-1-5-22(24)25)11-10-28-12-14-31-15-13-28/h1-9,16-17H,10-15H2
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n/an/a 530n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/a 690n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain Cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 1.1 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50050488
PNG
((3-Isothiocyanato-naphthalen-1-yl)-[1-(2-morpholin...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cc(cc2ccccc12)N=C=S
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-16-20(27-18-32)15-19-5-1-2-6-21(19)23)24-17-29(25-8-4-3-7-22(24)25)10-9-28-11-13-31-14-12-28/h1-8,15-17H,9-14H2
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n/an/a 920n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity against brain cannabinoid receptor 1 using [3H]-CP-55,940 as radioligand at 0.25 nM concentration


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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n/an/an/an/a 370n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50009854
PNG
(CHEMBL13078 | [1-(2-Morpholin-4-yl-ethyl)-1H-indol...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
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n/an/an/an/a 275n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050489
PNG
(CHEMBL61448 | [6-Isothiocyanato-1-(2-morpholin-4-y...)
Show SMILES O=C(c1cn(CCN2CCOCC2)c2cc(ccc12)N=C=S)c1cccc2ccccc12
Show InChI InChI=1S/C26H23N3O2S/c30-26(23-7-3-5-19-4-1-2-6-21(19)23)24-17-29(11-10-28-12-14-31-15-13-28)25-16-20(27-18-32)8-9-22(24)25/h1-9,16-17H,10-15H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair
Adenylate cyclase type V


(Rattus norvegicus)
BDBM50050491
PNG
((4-Isothiocyanato-naphthalen-1-yl)-[2-methyl-1-(2-...)
Show SMILES Cc1c(C(=O)c2ccc(N=C=S)c3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C27H25N3O2S/c1-19-26(27(31)22-10-11-24(28-18-33)21-7-3-2-6-20(21)22)23-8-4-5-9-25(23)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of hormone stimulated Adenylate cyclase activity in N18TG2 membranes.


J Med Chem 39: 1967-74 (1996)


Article DOI: 10.1021/jm950932r
BindingDB Entry DOI: 10.7270/Q27M071B
More data for this
Ligand-Target Pair