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Compile Data Set for Download or QSAR

Found 48 hits of ec50 for UniProtKB: P47746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50358949
PNG
(CHEMBL1923763)
Show SMILES CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)OC(CO)CO)c1
Show InChI InChI=1S/C29H50O6/c1-4-5-6-14-17-29(2,3)24-19-25(32)21-26(20-24)34-18-15-12-10-8-7-9-11-13-16-28(33)35-27(22-30)23-31/h19-21,27,30-32H,4-18,22-23H2,1-3H3
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n/an/an/an/a 6.30n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at MF1 mouse brain CB1 receptor assessed as induction of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20?,22?/m1/s1
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n/an/an/an/a 7.5n/an/an/a30



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195516
PNG
(CHEMBL216382 | N-(4'-methylcyclohexyl)-1-(p-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2nc(C)ccc2c1=O |(20.1,4.38,;18.76,3.62,;18.75,2.08,;17.42,1.32,;16.08,2.1,;16.09,3.63,;17.43,4.39,;14.75,1.33,;13.42,2.1,;13.42,3.64,;12.08,1.34,;12.08,-.22,;10.73,-.99,;10.72,-2.53,;12.06,-3.3,;12.04,-4.84,;13.37,-5.61,;14.71,-4.85,;16.04,-5.62,;14.71,-3.3,;13.38,-2.53,;9.39,-.21,;8.06,-.98,;6.73,-.21,;5.39,-.98,;6.73,1.34,;8.06,2.11,;9.39,1.34,;10.73,2.12,;10.73,3.66,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-3-10-19(11-4-15)27-24(30)21-14-28(13-17-6-8-18(25)9-7-17)23-20(22(21)29)12-5-16(2)26-23/h5-9,12,14-15,19H,3-4,10-11,13H2,1-2H3,(H,27,30)
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n/an/an/an/a 27n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50500799
PNG
(CHEMBL3758877)
Show SMILES CCc1c([nH]c2ccc(cc12)N=C=S)C(=O)NCCc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H28N4OS/c1-2-21-22-16-19(27-17-31)8-11-23(22)28-24(21)25(30)26-13-12-18-6-9-20(10-7-18)29-14-4-3-5-15-29/h6-11,16,28H,2-5,12-15H2,1H3,(H,26,30)
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n/an/an/an/a 27n/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Activity at CB1R in mouse brain membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding preincubated for 60 mins prior to [35S]GT...


J Med Chem 59: 44-60 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01303
BindingDB Entry DOI: 10.7270/Q2Z03C57
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50586724
PNG
(CHEMBL5082666)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccsc1)c1ccccc1
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n/an/an/an/a 30n/an/an/an/a


TBA

Assay Description
Positive allosteric modulation of CB1 receptor in MF1 mouse vas deferens assessed as inhibition of AEA-induced electrically evoked vas deferens contr...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116421
BindingDB Entry DOI: 10.7270/Q2GT5S30
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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n/an/an/an/a 42n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at MF1 mouse brain CB1 receptor assessed as induction of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM86515
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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n/an/an/an/a 77n/an/an/a30



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50358947
PNG
(CHEMBL1923761)
Show SMILES CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)OC(CO)CO
Show InChI InChI=1S/C26H44O6/c1-2-3-4-11-14-22-16-17-23(29)19-25(22)31-18-13-10-8-6-5-7-9-12-15-26(30)32-24(20-27)21-28/h16-17,19,24,27-29H,2-15,18,20-21H2,1H3
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n/an/an/an/a 78.4n/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Agonist activity at MF1 mouse brain CB1 receptor assessed as induction of [35S]GTPgammaS binding after 60 mins by liquid scintillation counting


J Med Chem 54: 8278-88 (2011)


Article DOI: 10.1021/jm200529h
BindingDB Entry DOI: 10.7270/Q23J3DC3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM239074
PNG
(US9416103, JWH-073-M1)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2c(O)cccc12
Show InChI InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3
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n/an/an/an/a 113n/an/an/a30



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50195511
PNG
(CHEMBL217549 | N-(4'-methylcyclohexyl)-1-(o-fluoro...)
Show SMILES CC1CCC(CC1)NC(=O)c1cn(Cc2ccccc2F)c2nc(C)ccc2c1=O |(6.82,-7.93,;5.48,-8.69,;5.47,-10.23,;4.13,-10.99,;2.8,-10.21,;2.8,-8.67,;4.15,-7.91,;1.46,-10.97,;.13,-10.2,;.13,-8.66,;-1.21,-10.97,;-1.21,-12.52,;-2.56,-13.29,;-2.56,-14.83,;-1.23,-15.6,;-1.24,-17.14,;.08,-17.92,;1.42,-17.15,;1.42,-15.6,;.09,-14.84,;.09,-13.3,;-3.89,-12.52,;-5.22,-13.28,;-6.56,-12.51,;-7.89,-13.28,;-6.55,-10.97,;-5.23,-10.2,;-3.89,-10.96,;-2.55,-10.18,;-2.55,-8.64,)|
Show InChI InChI=1S/C24H26FN3O2/c1-15-7-10-18(11-8-15)27-24(30)20-14-28(13-17-5-3-4-6-21(17)25)23-19(22(20)29)12-9-16(2)26-23/h3-6,9,12,14-15,18H,7-8,10-11,13H2,1-2H3,(H,27,30)
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n/an/an/an/a 138n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 204n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Activity at CB1 receptor assessed as stimulation of [35S]GTP-gamma-S binding in DBA/J2 mouse brain


J Med Chem 49: 5947-57 (2006)


Article DOI: 10.1021/jm0603466
BindingDB Entry DOI: 10.7270/Q2DB82N5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM85804
PNG
(1-Naphthyl(1-butyl-1H-indole-3-yl)methanone | JWH-...)
Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3
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n/an/an/an/a 277n/an/an/a30



The Board of Trustees of the University of Arkansas; The University of Kansas

US Patent


Assay Description
[35S]GTPγS binding was performed as previously described [Brents et al., PLoS One, 6:e21917]. Briefly, 25 μg of mouse brain homogenates were...


US Patent US9416103 (2016)


BindingDB Entry DOI: 10.7270/Q2HX1BKQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1S/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/an/an/a 500n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in mouse brain membrane assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50005908
PNG
(CHEMBL3234707 | US9062004, 14 | US9670216, 14 4-Br...)
Show SMILES CN(C)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br
Show InChI InChI=1S/C18H31BrN4O/c1-17(2)9-13(10-18(3,4)12-17)23-16(24)15(19)14(11-21-23)20-7-8-22(5)6/h11,13,20H,7-10,12H2,1-6H3
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n/an/an/an/a 820n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in Swiss Webster mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction


Cell Chem Biol 56: 8224-56 (2013)


Article DOI: 10.1021/jm4005626
BindingDB Entry DOI: 10.7270/Q2B859M5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517072
PNG
(CHEMBL4450922)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1-14,19,23H,15H2
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n/an/an/an/a 940n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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n/an/an/an/a 1.45E+3n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429836
PNG
(CHEMBL2338175)
Show SMILES CCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:7:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9|
Show InChI InChI=1S/C22H29NO2/c1-2-25-20-7-8-23(19-6-4-3-5-18(19)20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17,20H,2,7-14H2,1H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292324
PNG
(CHEMBL393324 | N-phenyl-2-benzyl-3-(4-chlorophenyl...)
Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)Nc1ccccc1 |c:10,t:8|
Show InChI InChI=1S/C23H18ClN3O3S/c24-19-13-11-18(12-14-19)22-15-21(23(28)25-20-9-5-2-6-10-20)26-31(29,30)27(22)16-17-7-3-1-4-8-17/h1-15H,16H2,(H,25,28)
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n/an/an/an/a 5.73E+3n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429829
PNG
(CHEMBL2338183)
Show SMILES Fc1ccc2N(CCc2c1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C19H22FNO/c20-16-1-2-17-15(8-16)3-4-21(17)18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
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n/an/an/an/a>6.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292327
PNG
(CHEMBL241774 | N-(piperidin-1-yl)-3-(4-chloropheny...)
Show SMILES CCCCCCN1C(=CC(=NS1(=O)=O)C(=O)NN1CCCCC1)c1ccc(Cl)cc1 |c:7,9|
Show InChI InChI=1S/C21H29ClN4O3S/c1-2-3-4-8-15-26-20(17-9-11-18(22)12-10-17)16-19(24-30(26,28)29)21(27)23-25-13-6-5-7-14-25/h9-12,16H,2-8,13-15H2,1H3,(H,23,27)
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n/an/an/an/a 8.44E+3n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/an/a 8.99E+3n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429825
PNG
(CHEMBL2338187)
Show SMILES O=C(N1CCc2ccccc12)C12CC3CC1CC(C2)C3 |TLB:18:17:14:12.11,1:11:14:19.17.16,THB:12:13:16:11.18,12:11:14.13.19:16,18:11:14:19.17.16,1:11:14.13.19:16|
Show InChI InChI=1S/C18H21NO/c20-17(19-6-5-14-3-1-2-4-16(14)19)18-10-12-7-13(11-18)9-15(18)8-12/h1-4,12-13,15H,5-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517079
PNG
(CHEMBL4441585)
Show SMILES Cn1c(c(C(C[N+]([O-])=O)c2ccccc2)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-24-21-15-9-8-14-19(21)22(23(24)18-12-6-3-7-13-18)20(16-25(26)27)17-10-4-2-5-11-17/h2-15,20H,16H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517073
PNG
(CHEMBL4434980)
Show SMILES NCC(c1c([nH]c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H20N2/c23-15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)24-22(21)17-11-5-2-6-12-17/h1-14,19,24H,15,23H2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517076
PNG
(CHEMBL4593957)
Show SMILES [O-][N+](=O)CC(c1cc[nH]c1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H16N2O2/c21-20(22)13-17(14-7-3-1-4-8-14)16-11-12-19-18(16)15-9-5-2-6-10-15/h1-12,17,19H,13H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517078
PNG
(CHEMBL4556197)
Show SMILES [O-][N+](=O)CC(c1c([nH]c2ccccc12)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17,19,23H,2,5-6,11-12,15H2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517075
PNG
(CHEMBL4560492)
Show SMILES [O-][N+](=O)CC(c1cn(-c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-24(26)16-20(17-9-3-1-4-10-17)21-15-23(18-11-5-2-6-12-18)22-14-8-7-13-19(21)22/h1-15,20H,16H2
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University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517074
PNG
(CHEMBL1905057)
Show SMILES [O-][N+](=O)CC(c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-18(20)11-15(12-6-2-1-3-7-12)14-10-17-16-9-5-4-8-13(14)16/h1-10,15,17H,11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429824
PNG
(CHEMBL2338188)
Show SMILES O=C(C1C2CC3CC(C2)CC1C3)N1CCc2ccccc12 |TLB:8:7:11:4.3.2,8:3:6.7.9:11,THB:2:3:6:9.10.11,2:10:6:4.8.3,1:2:6.7.9:11,(54.97,-16.45,;54.99,-18,;53.66,-18.79,;53.65,-20.32,;52.25,-20.67,;50.91,-20.18,;49.71,-21.46,;51.22,-21.04,;52.63,-21.61,;51.22,-19.45,;52.26,-18.21,;50.91,-18.69,;56.34,-18.76,;56.52,-20.29,;58.04,-20.59,;58.79,-19.24,;60.29,-18.91,;60.75,-17.44,;59.69,-16.3,;58.2,-16.64,;57.75,-18.11,)|
Show InChI InChI=1S/C19H23NO/c21-19(20-6-5-14-3-1-2-4-17(14)20)18-15-8-12-7-13(10-15)11-16(18)9-12/h1-4,12-13,15-16,18H,5-11H2
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429826
PNG
(CHEMBL2338186)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2C1 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3|
Show InChI InChI=1S/C19H24N2O/c22-18(21-11-16-3-1-2-4-17(16)12-21)20-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,20,22)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429827
PNG
(CHEMBL2338185)
Show SMILES Cc1cccc2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)c12 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-17-5-6-21(18(13)17)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429828
PNG
(CHEMBL2338184)
Show SMILES FC(F)(F)c1ccc2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)c2c1 |TLB:11:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C20H22F3NO/c21-20(22,23)16-2-1-15-3-4-24(17(15)8-16)18(25)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14H,3-7,9-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429830
PNG
(CHEMBL2338182)
Show SMILES Cc1cccc2N(CCc12)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12|
Show InChI InChI=1S/C20H25NO/c1-13-3-2-4-18-17(13)5-6-21(18)19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-4,14-16H,5-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429831
PNG
(CHEMBL2338181)
Show SMILES CC1(C)CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C21H27NO/c1-20(2)13-22(18-6-4-3-5-17(18)20)19(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429832
PNG
(CHEMBL2338179)
Show SMILES O=C(N1Cc2ccccc2C1)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C19H23NO/c21-18(20-11-16-3-1-2-4-17(16)12-20)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429833
PNG
(CHEMBL2338178)
Show SMILES O=C(N1CCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:1:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C19H23NO/c21-18(20-6-5-16-3-1-2-4-17(16)20)19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429834
PNG
(CHEMBL2338177)
Show SMILES CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:5:7:10:14.13.12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7|
Show InChI InChI=1S/C20H26N2O/c1-21-6-7-22(18-5-3-2-4-17(18)21)19(23)20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429835
PNG
(CHEMBL2338176)
Show SMILES COCCOC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C23H31NO3/c1-26-8-9-27-21-6-7-24(20-5-3-2-4-19(20)21)22(25)23-13-16-10-17(14-23)12-18(11-16)15-23/h2-5,16-18,21H,6-15H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50429837
PNG
(CHEMBL2338174)
Show SMILES COC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:6:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C21H27NO2/c1-24-19-6-7-22(18-5-3-2-4-17(18)19)20(23)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16,19H,6-13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50207795
PNG
(CHEMBL246952 | adamantan-1-yl-(3,4-dihydro-2H-quin...)
Show SMILES O=C(N1CCCc2ccccc12)C12CC3CC(CC(C3)C1)C2 |TLB:15:16:13.14.19:20,THB:15:14:20:21.16.17,17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C20H25NO/c22-19(21-7-3-5-17-4-1-2-6-18(17)21)20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,4,6,14-16H,3,5,7-13H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse CB1 receptor by cAMP read-out assay


Bioorg Med Chem Lett 23: 1177-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.044
BindingDB Entry DOI: 10.7270/Q2M32X3H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50517077
PNG
(CHEMBL4452828)
Show SMILES [O-][N+](=O)CCc1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2/c19-18(20)11-10-14-13-8-4-5-9-15(13)17-16(14)12-6-2-1-3-7-12/h1-9,17H,10-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at mouse CB1R expressed in CHO-K1 cells assessed as CP55940-induced beta-arrestin2 recruitment by pathhunter ...


ACS Med Chem Lett 10: 1216-1221 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00256
BindingDB Entry DOI: 10.7270/Q28W3HNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292328
PNG
(CHEMBL241567 | N-(1,3,3-trimethylbicyclo[2.2.1]hep...)
Show SMILES CC1(C)C2CCC(C)(C2)C1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(=C1)c1ccc(Cl)cc1 |w:3.3,9.11,6.6,c:29,t:15,TEB:10:9:4.5:8|
Show InChI InChI=1S/C27H30ClN3O3S/c1-26(2)20-13-14-27(3,16-20)25(26)29-24(32)22-15-23(19-9-11-21(28)12-10-19)31(35(33,34)30-22)17-18-7-5-4-6-8-18/h4-12,15,20,25H,13-14,16-17H2,1-3H3,(H,29,32)
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n/an/an/an/a 1.19E+4n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50511105
PNG
(GWP-42004 | Gwp42004 | O-4394 | THCV | Tetrahydroc...)
Show SMILES [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|
Show InChI InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
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n/an/an/an/a 1.27E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00965
BindingDB Entry DOI: 10.7270/Q2057KWP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292329
PNG
(CHEMBL240324 | N-(piperidin-1-yl)-2-benzyl-3-(4-ch...)
Show SMILES Clc1ccc(cc1)C1=CC(=NS(=O)(=O)N1Cc1ccccc1)C(=O)NN1CCCCC1 |c:10,t:8|
Show InChI InChI=1S/C22H23ClN4O3S/c23-19-11-9-18(10-12-19)21-15-20(22(28)24-26-13-5-2-6-14-26)25-31(29,30)27(21)16-17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,24,28)
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n/an/an/an/a 1.35E+4n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50040961
PNG
(CHEMBL3354952)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C18H19F2N3O2/c1-18(2,8-24)21-17(25)15-12-6-9-5-11(9)16(12)23(22-15)14-4-3-10(19)7-13(14)20/h3-4,7,9,11,24H,5-6,8H2,1-2H3,(H,21,25)/t9-,11-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mouse recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292326
PNG
(CHEMBL239257 | N-(piperidin-1-yl)-2-hexyl-3-methyl...)
Show SMILES CCCCCCN1C(C)=CC(=NS1(=O)=O)C(=O)NN1CCCCC1 |c:8,10|
Show InChI InChI=1S/C16H28N4O3S/c1-3-4-5-9-12-20-14(2)13-15(18-24(20,22)23)16(21)17-19-10-7-6-8-11-19/h13H,3-12H2,1-2H3,(H,17,21)
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n/an/an/an/a 3.69E+4n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292325
PNG
(CHEMBL240109 | N-cyclohexyl-2-(2,4-dichlorobenzyl)...)
Show SMILES Cc1cc(ccc1Cl)C1=CC(=NS(=O)(=O)N1Cc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |c:11,t:9|
Show InChI InChI=1S/C24H24Cl3N3O3S/c1-15-11-16(8-10-20(15)26)23-13-22(24(31)28-19-5-3-2-4-6-19)29-34(32,33)30(23)14-17-7-9-18(25)12-21(17)27/h7-13,19H,2-6,14H2,1H3,(H,28,31)
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n/an/an/an/a 3.69E+4n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50292330
PNG
(CHEMBL391839 | N-(piperidin-1-yl)-3-(4-bromophenyl...)
Show SMILES Brc1ccc(cc1)C1=CC(=NS(=O)(=O)N1C1CCCCC1)C(=O)NN1CCCCC1 |c:10,t:8|
Show InChI InChI=1S/C21H27BrN4O3S/c22-17-11-9-16(10-12-17)20-15-19(21(27)23-25-13-5-2-6-14-25)24-30(28,29)26(20)18-7-3-1-4-8-18/h9-12,15,18H,1-8,13-14H2,(H,23,27)
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n/an/an/an/a 3.84E+4n/an/an/an/a



Instituto de Química Médica

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in ICR mouse vas deferens assessed as inhibition of electrically-stimulated contraction


Bioorg Med Chem 15: 7480-93 (2007)


Article DOI: 10.1016/j.bmc.2007.07.056
BindingDB Entry DOI: 10.7270/Q2M04551
More data for this
Ligand-Target Pair