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Compile Data Set for Download or QSAR

Found 41 hits of kd data for polymerid = 2136   
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


(Homo sapiens (Human))
BDBM50083849
PNG
(7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC#N)cc1OC2(C)C
Show InChI InChI=1S/C23H29NO2/c1-16-10-11-19-18(13-16)22-20(25)14-17(9-7-5-4-6-8-12-24)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,25H,4,6,8-9,11,13H2,1-3H3/b7-5+
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n/an/an/a 0.770n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083852
PNG
(3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11,15-16,19-20,26H,7-10,12-14H2,1-6H3
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n/an/an/a 0.770n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083866
PNG
(3-Hept-1-enyl-6,6,9-trimethyl-6a,7,10,10a-tetrahyd...)
Show SMILES CCCCC\C=C\c1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h9-11,14-15,18-19,24H,5-8,12-13H2,1-4H3/b10-9+
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n/an/an/a 0.860n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083844
PNG
(3-(6-Bromo-hex-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCBr)cc1OC2(C)C
Show InChI InChI=1S/C22H27BrO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3
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n/an/an/a 1.20n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083849
PNG
(7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC#N)cc1OC2(C)C
Show InChI InChI=1S/C23H29NO2/c1-16-10-11-19-18(13-16)22-20(25)14-17(9-7-5-4-6-8-12-24)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,25H,4,6,8-9,11,13H2,1-3H3/b7-5+
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n/an/an/a 1.25n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083876
PNG
(3-(6-Bromo-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,10a...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCBr)cc1OC2(C)C
Show InChI InChI=1S/C22H29BrO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3/b6-4+
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n/an/an/a 1.66n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
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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n/an/an/a 1.80n/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
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
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/a 1.80n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)

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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n/an/an/a 2.10n/an/an/a7.4n/a



North Carolina Central University



Assay Description
Briefly, ~5μg of membranes were incubated at 30 C for 60 min with [3H]CP55940 (147.9 Ci/mmol; PerkinElmer Life Sciences) or [3H]SR141716A (43 C...


J Biol Chem 288: 32449-65 (2013)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083853
PNG
(6,6,9-Trimethyl-3-oct-2-enyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h9-10,12,15-16,19-20,25H,5-8,11,13-14H2,1-4H3/b10-9+
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n/an/an/a 3.19n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083861
PNG
(6,6,9-Trimethyl-3-oct-3-enyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCC\C=C\CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h8-9,12,15-16,19-20,25H,5-7,10-11,13-14H2,1-4H3/b9-8+
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n/an/an/a 3.36n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083847
PNG
(6,6,9-Trimethyl-3-(7-nitro-hept-2-enyl)-6a,7,10,10...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC[N+]([O-])=O)cc1OC2(C)C
Show InChI InChI=1S/C23H31NO4/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-4-6-8-12-24(26)27/h5,7,10,14-15,18-19,25H,4,6,8-9,11-13H2,1-3H3/b7-5+
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n/an/an/a 3.56n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083857
PNG
(6,6,9-Trimethyl-3-non-2-ynyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCCCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-5-6-7-8-9-10-11-12-19-16-22(26)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21,26H,5-9,12,14-15H2,1-4H3
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n/an/an/a 3.70n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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n/an/an/a 3.95n/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 6856-60 (2011)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50356013
PNG
(CHEMBL1911374 | CHEMBL1911375)
Show SMILES FC(F)(F)c1ccc(Cn2nc3c(-c4ccncc4)c(cnn3c2=O)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C23H14ClF3N6O/c24-17-4-2-15(3-5-17)18-12-30-33-21(20(18)16-7-9-28-10-8-16)31-32(22(33)34)13-14-1-6-19(29-11-14)23(25,26)27/h1-12H,13H2
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n/an/an/a 4.60n/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR-141716 from human CB1 receptor


Bioorg Med Chem Lett 21: 6856-60 (2011)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083868
PNG
(6,6,9-Trimethyl-3-octa-2,7-diynyl-6a,7,10,10a-tetr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCC#C)cc1OC2(C)C
Show InChI InChI=1S/C24H28O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h1,12,15-16,19-20,25H,6-8,11,13-14H2,2-4H3
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n/an/an/a 4.70n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1)


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083862
PNG
(6,6,9-Trimethyl-3-oct-2-ynyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-8,11,13-14H2,1-4H3
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n/an/an/a 4.90n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1)


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083864
PNG
(6,6,9-Trimethyl-3-(6-nitro-hex-2-ynyl)-6a,7,10,10a...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCC[N+]([O-])=O)cc1OC2(C)C
Show InChI InChI=1S/C22H27NO4/c1-15-9-10-18-17(12-15)21-19(24)13-16(14-20(21)27-22(18,2)3)8-6-4-5-7-11-23(25)26/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3
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n/an/an/a 5.34n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083860
PNG
(6,6,9-Trimethyl-3-oct-3-ynyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCCC#CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-7,10-11,13-14H2,1-4H3
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n/an/an/a 9n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083845
PNG
(6,6,9-Trimethyl-3-oct-4-enyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCC\C=C\CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H34O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h7-8,12,15-16,19-20,25H,5-6,9-11,13-14H2,1-4H3/b8-7+
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n/an/an/a 11n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083871
PNG
(3-Hex-2-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H28O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18,23H,5-6,9,11-12H2,1-4H3
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n/an/an/a 11n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083867
PNG
(3-(6-Methoxy-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,1...)
Show SMILES COCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H32O3/c1-16-10-11-19-18(13-16)22-20(24)14-17(9-7-5-6-8-12-25-4)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,24H,6,8-9,11-13H2,1-4H3/b7-5+
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n/an/an/a 11.5n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083858
PNG
(CHEMBL160120 | N-[6-(1-Hydroxy-6,6,9-trimethyl-6a,...)
Show SMILES CC(=O)NCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H33NO3/c1-16-10-11-20-19(13-16)23-21(27)14-18(15-22(23)28-24(20,3)4)9-7-5-6-8-12-25-17(2)26/h5,7,10,14-15,19-20,27H,6,8-9,11-13H2,1-4H3,(H,25,26)/b7-5+
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n/an/an/a 16.7n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083843
PNG
(6,6,9-Trimethyl-3-oct-4-ynyl-6a,7,10,10a-tetrahydr...)
Show SMILES CCCC#CCCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C24H32O2/c1-5-6-7-8-9-10-11-18-15-21(25)23-19-14-17(2)12-13-20(19)24(3,4)26-22(23)16-18/h12,15-16,19-20,25H,5-6,9-11,13-14H2,1-4H3
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n/an/an/a 19n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083869
PNG
(3-(6-Fluoro-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCF)cc1OC2(C)C
Show InChI InChI=1S/C22H29FO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3/b6-4+
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n/an/an/a 20.9n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083851
PNG
(3-(4-Bromo-pent-2-ynyl)-6,6,9-trimethyl-6a,7,10,10...)
Show SMILES CC(Br)C#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H25BrO2/c1-13-8-9-17-16(10-13)20-18(23)11-15(7-5-6-14(2)22)12-19(20)24-21(17,3)4/h8,11-12,14,16-17,23H,7,9-10H2,1-4H3
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n/an/an/a 25n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083846
PNG
(6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCC#N)cc1OC2(C)C
Show InChI InChI=1S/C22H25NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10,12H2,1-3H3
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n/an/an/a 31n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083863
PNG
(3-Hept-1-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahyd...)
Show SMILES CCCCCC#Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-8,12-13H2,1-4H3
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n/an/an/a 36n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083874
PNG
(6,6,9-Trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]...)
Show SMILES CC1=CCC2C(C1)c1c(O)cccc1OC2(C)C
Show InChI InChI=1S/C16H20O2/c1-10-7-8-12-11(9-10)15-13(17)5-4-6-14(15)18-16(12,2)3/h4-7,11-12,17H,8-9H2,1-3H3
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n/an/an/a 45n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083842
PNG
(3-(6-Hydroxy-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,1...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCO)cc1OC2(C)C
Show InChI InChI=1S/C22H30O3/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h4,6,9,13-14,17-18,23-24H,5,7-8,10-12H2,1-3H3/b6-4+
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n/an/an/a 53.7n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083856
PNG
(6-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C#CCCCC#N
Show InChI InChI=1S/C22H25NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,4-5,7,10,12H2,1-3H3
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n/an/an/a 104n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083859
PNG
(3-(4-Bromo-but-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCBr)cc1OC2(C)C
Show InChI InChI=1S/C20H23BrO2/c1-13-7-8-16-15(10-13)19-17(22)11-14(6-4-5-9-21)12-18(19)23-20(16,2)3/h7,11-12,15-16,22H,6,8-10H2,1-3H3
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n/an/an/a 143n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083870
PNG
(1-Methoxy-6,6,9-trimethyl-3-oct-2-ynyl-6a,7,10,10a...)
Show SMILES CCCCCC#CCc1cc(OC)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-10-11-12-19-16-22(26-5)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21H,6-9,12,14-15H2,1-5H3
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n/an/an/a 189n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083873
PNG
(CHEMBL161470 | N-[5-(1-Hydroxy-6,6,9-trimethyl-6a,...)
Show SMILES CC(=O)NCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C23H29NO3/c1-15-9-10-19-18(12-15)22-20(26)13-17(14-21(22)27-23(19,3)4)8-6-5-7-11-24-16(2)25/h9,13-14,18-19,26H,7-8,10-12H2,1-4H3,(H,24,25)
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n/an/an/a 307n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083848
PNG
(3-But-3-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CCC#C)cc1OC2(C)C
Show InChI InChI=1S/C20H24O2/c1-5-6-7-14-11-17(21)19-15-10-13(2)8-9-16(15)20(3,4)22-18(19)12-14/h1,8,11-12,15-16,21H,6-7,9-10H2,2-4H3
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n/an/an/a 367n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083865
PNG
(3-(5-Hydroxy-pent-2-ynyl)-6,6,9-trimethyl-6a,7,10,...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCO)cc1OC2(C)C
Show InChI InChI=1S/C21H26O3/c1-14-8-9-17-16(11-14)20-18(23)12-15(7-5-4-6-10-22)13-19(20)24-21(17,2)3/h8,12-13,16-17,22-23H,6-7,9-11H2,1-3H3
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n/an/an/a 448n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083850
PNG
(3-Hepta-1,6-diynyl-6,6,9-trimethyl-6a,7,10,10a-tet...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C#CCCCC#C
Show InChI InChI=1S/C23H26O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h1,11,14-15,18-19,24H,6-8,12-13H2,2-4H3
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n/an/an/a 460n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083872
PNG
(4-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES COC(=O)C#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H24O4/c1-13-8-9-16-15(10-13)20-17(22)11-14(6-5-7-19(23)24-4)12-18(20)25-21(16,2)3/h8,11-12,15-16,22H,6,9-10H2,1-4H3
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n/an/an/a 731n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083875
PNG
(3-(6-Amino-hex-2-ynyl)-6,6,9-trimethyl-6a,7,10,10a...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCCN)cc1OC2(C)C
Show InChI InChI=1S/C22H29NO2/c1-15-9-10-18-17(12-15)21-19(24)13-16(8-6-4-5-7-11-23)14-20(21)25-22(18,2)3/h9,13-14,17-18,24H,5,7-8,10-12,23H2,1-3H3
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n/an/an/a 1.30E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Tested for binding affinity against Cannabinoid receptor 1 (CB1).


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083855
PNG
(7-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES CC1=CCC2C(C1)c1c(O)cc(C=C=CCCCC(O)=O)cc1OC2(C)C
Show InChI InChI=1S/C23H28O4/c1-15-10-11-18-17(12-15)22-19(24)13-16(14-20(22)27-23(18,2)3)8-6-4-5-7-9-21(25)26/h4,8,10,13-14,17-18,24H,5,7,9,11-12H2,1-3H3,(H,25,26)
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n/an/an/a 3.17E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50083854
PNG
(5-(1-Hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydr...)
Show SMILES COC(=O)C#CCCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H26O4/c1-14-9-10-17-16(11-14)21-18(23)12-15(7-5-6-8-20(24)25-4)13-19(21)26-22(17,2)3/h9,12-13,16-17,23H,5,7,10-11H2,1-4H3
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n/an/an/a>1.00E+4n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1.


Citation and Details
More data for this
Ligand-Target Pair