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PubMed code 25575658

Compile data set for download or QSAR
Found 83 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042888
PNG
(CHEMBL3354540)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCCC2)no1 |r|
Show InChI InChI=1/C20H31N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h13-15H,4-12H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a 5.76E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042891
PNG
(CHEMBL3354535)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1 |r|
Show InChI InChI=1/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/s2
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n/an/an/an/a 600n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042899
PNG
(CHEMBL3354529)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C20H26ClN3O2/c1-20(2,3)17-12-18(23-26-17)22-19(25)16-6-4-5-11-24(16)13-14-7-9-15(21)10-8-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,22,23,25)/t16-/s2
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n/an/an/an/a 217n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 53n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042903
PNG
(CHEMBL3354562)
Show SMILES Clc1cccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc12 |r|
Show InChI InChI=1/C18H21ClN4O4S2/c19-12-4-3-6-14-15(12)20-17(28-14)21-16(24)13-5-1-2-7-23(13)18(25)22-8-10-29(26,27)11-9-22/h3-4,6,13H,1-2,5,7-11H2,(H,20,21,24)/t13-/s2
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n/an/an/an/a 27n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042907
PNG
(CHEMBL3354558)
Show SMILES O=C(Nc1cc(no1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C20H24N4O5S/c25-19(21-18-14-16(22-29-18)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,25)/t17-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042919
PNG
(CHEMBL3354546)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCCCC2)no1 |r|
Show InChI InChI=1/C19H30N4O3/c1-19(2,3)15-13-16(21-26-15)20-17(24)14-9-5-8-12-23(14)18(25)22-10-6-4-7-11-22/h13-14H,4-12H2,1-3H3,(H,20,21,24)/t14-/s2
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n/an/an/an/a 61n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042886
PNG
(CHEMBL3354542)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:10.9,18.18,wD:21.22,(49.92,-45,;49.15,-43.66,;49.92,-42.33,;50.67,-43.82,;47.61,-43.66,;46.71,-42.41,;45.25,-42.89,;43.91,-42.11,;42.58,-42.88,;42.58,-44.42,;41.24,-42.11,;41.24,-40.57,;39.92,-39.79,;38.59,-40.57,;38.59,-42.11,;39.92,-42.87,;39.91,-44.41,;41.25,-45.18,;38.58,-45.18,;38.59,-46.71,;37.26,-47.49,;35.92,-46.71,;34.59,-47.49,;35.92,-45.17,;37.25,-44.4,;45.24,-44.43,;46.7,-44.91,)|
Show InChI InChI=1/C20H31N3O4/c1-20(2,3)16-12-17(22-27-16)21-18(25)15-6-4-5-11-23(15)19(26)13-7-9-14(24)10-8-13/h12-15,24H,4-11H2,1-3H3,(H,21,22,25)/t13-,14-,15-/s2
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n/an/an/an/a 41n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042900
PNG
(CHEMBL3354528)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1 |r|
Show InChI InChI=1/C20H27N3O2/c1-20(2,3)17-13-18(22-25-17)21-19(24)16-11-7-8-12-23(16)14-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,21,22,24)/t16-/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 0.0930n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042917
PNG
(CHEMBL3354548)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C20H31N5O4/c1-14(26)23-9-11-24(12-10-23)19(28)25-8-6-5-7-15(25)18(27)21-17-13-16(29-22-17)20(2,3)4/h13,15H,5-12H2,1-4H3,(H,21,22,27)/t15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042911
PNG
(CHEMBL3354554)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(27-20-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042896
PNG
(CHEMBL3354532)
Show SMILES CC(C)CN1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C17H29N3O2/c1-12(2)11-20-9-7-6-8-13(20)16(21)18-15-10-14(22-19-15)17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19,21)/t13-/s2
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n/an/an/an/a 1.97E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042904
PNG
(CHEMBL3354561)
Show SMILES Clc1ccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc2c1 |r|
Show InChI InChI=1/C18H21ClN4O4S2/c19-12-4-5-15-13(11-12)20-17(28-15)21-16(24)14-3-1-2-6-23(14)18(25)22-7-9-29(26,27)10-8-22/h4-5,11,14H,1-3,6-10H2,(H,20,21,24)/t14-/s2
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n/an/an/an/a 26n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042891
PNG
(CHEMBL3354535)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CCOCC2)no1 |r|
Show InChI InChI=1/C19H31N3O3/c1-19(2,3)16-12-17(21-25-16)20-18(23)15-6-4-5-9-22(15)13-14-7-10-24-11-8-14/h12,14-15H,4-11,13H2,1-3H3,(H,20,21,23)/t15-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042905
PNG
(CHEMBL3354560)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C20H24N4O4S2/c25-18(22-19-21-16(14-29-19)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,22,25)/t17-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042902
PNG
(CHEMBL3354563)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C19H23N5O4S2/c25-17(21-18-20-16(22-29-18)14-6-2-1-3-7-14)15-8-4-5-9-24(15)19(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,15H,4-5,8-13H2,(H,20,21,22,25)/t15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042889
PNG
(CHEMBL3354539)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C20H24ClN3O3/c1-20(2,3)16-12-17(23-27-16)22-18(25)15-6-4-5-11-24(15)19(26)13-7-9-14(21)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,22,23,25)/t15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042898
PNG
(CHEMBL3354530)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CC2)no1 |r|
Show InChI InChI=1/C16H25N3O2/c1-16(2,3)13-10-14(18-21-13)17-15(20)12-6-4-5-9-19(12)11-7-8-11/h10-12H,4-9H2,1-3H3,(H,17,18,20)/t12-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042913
PNG
(CHEMBL3354552)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CC[S+]([O-])CC2)no1 |r|
Show InChI InChI=1/C18H28N4O4S/c1-18(2,3)14-12-15(20-26-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-27(25)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 166n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042914
PNG
(CHEMBL3354551)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCSCC2)no1 |r|
Show InChI InChI=1/C18H28N4O3S/c1-18(2,3)14-12-15(20-25-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-26-11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 17n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042917
PNG
(CHEMBL3354548)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C20H31N5O4/c1-14(26)23-9-11-24(12-10-23)19(28)25-8-6-5-7-15(25)18(27)21-17-13-16(29-22-17)20(2,3)4/h13,15H,5-12H2,1-4H3,(H,21,22,27)/t15-/s2
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n/an/an/an/a 416n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042918
PNG
(CHEMBL3354547)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1 |r|
Show InChI InChI=1/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-25-11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 818n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042889
PNG
(CHEMBL3354539)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C20H24ClN3O3/c1-20(2,3)16-12-17(23-27-16)22-18(25)15-6-4-5-11-24(15)19(26)13-7-9-14(21)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,22,23,25)/t15-/s2
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n/an/an/an/a 55n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042921
PNG
(CHEMBL3354536)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C18H20ClN3O3/c1-18(2,3)14-10-15(21-25-14)20-17(24)13-8-9-16(23)22(13)12-6-4-11(19)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,21,24)/t13-/s2
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n/an/an/an/a 6.10n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50006259
PNG
(CHEMBL3234706)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C18H21F3N4O2/c1-17(2,3)13-9-14(24-27-13)23-16(26)12-5-4-8-25(12)15-7-6-11(10-22-15)18(19,20)21/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,23,24,26)/t12-/m0/s1
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n/an/an/an/a 0.0700n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042919
PNG
(CHEMBL3354546)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCCCC2)no1 |r|
Show InChI InChI=1/C19H30N4O3/c1-19(2,3)15-13-16(21-26-15)20-17(24)14-9-5-8-12-23(14)18(25)22-10-6-4-7-11-22/h13-14H,4-12H2,1-3H3,(H,20,21,24)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042918
PNG
(CHEMBL3354547)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCOCC2)no1 |r|
Show InChI InChI=1/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-25-11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042916
PNG
(CHEMBL3354549)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C21H33N5O4/c1-5-18(27)24-10-12-25(13-11-24)20(29)26-9-7-6-8-15(26)19(28)22-17-14-16(30-23-17)21(2,3)4/h14-15H,5-13H2,1-4H3,(H,22,23,28)/t15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042915
PNG
(CHEMBL3354550)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C23H37N5O4/c1-22(2,3)17-15-18(25-32-17)24-19(29)16-9-7-8-10-28(16)21(31)27-13-11-26(12-14-27)20(30)23(4,5)6/h15-16H,7-14H2,1-6H3,(H,24,25,29)/t16-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042913
PNG
(CHEMBL3354552)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CC[S+]([O-])CC2)no1 |r|
Show InChI InChI=1/C18H28N4O4S/c1-18(2,3)14-12-15(20-26-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-27(25)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042883
PNG
(CHEMBL3354545)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)CC2CCOCC2)no1 |r|
Show InChI InChI=1/C20H31N3O4/c1-20(2,3)16-13-17(22-27-16)21-19(25)15-6-4-5-9-23(15)18(24)12-14-7-10-26-11-8-14/h13-15H,4-12H2,1-3H3,(H,21,22,25)/t15-/s2
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n/an/an/an/a 6.98E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042886
PNG
(CHEMBL3354542)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:10.9,18.18,wD:21.22,(49.92,-45,;49.15,-43.66,;49.92,-42.33,;50.67,-43.82,;47.61,-43.66,;46.71,-42.41,;45.25,-42.89,;43.91,-42.11,;42.58,-42.88,;42.58,-44.42,;41.24,-42.11,;41.24,-40.57,;39.92,-39.79,;38.59,-40.57,;38.59,-42.11,;39.92,-42.87,;39.91,-44.41,;41.25,-45.18,;38.58,-45.18,;38.59,-46.71,;37.26,-47.49,;35.92,-46.71,;34.59,-47.49,;35.92,-45.17,;37.25,-44.4,;45.24,-44.43,;46.7,-44.91,)|
Show InChI InChI=1/C20H31N3O4/c1-20(2,3)16-12-17(22-27-16)21-18(25)15-6-4-5-11-23(15)19(26)13-7-9-14(24)10-8-13/h12-15,24H,4-11H2,1-3H3,(H,21,22,25)/t13-,14-,15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042910
PNG
(CHEMBL3354555)
Show SMILES CC1(CC1)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C18H26N4O5S/c1-18(5-6-18)14-12-15(27-20-14)19-16(23)13-4-2-3-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,2-11H2,1H3,(H,19,23)/t13-/s2
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n/an/an/an/a 63n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 11n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042890
PNG
(CHEMBL3354538)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)no1 |r|
Show InChI InChI=1/C20H25N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a 19n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042590
PNG
(CHEMBL3353863)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 0.200n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042897
PNG
(CHEMBL3354531)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CC2)no1 |r|
Show InChI InChI=1/C17H27N3O2/c1-17(2,3)14-10-15(19-22-14)18-16(21)13-6-4-5-9-20(13)11-12-7-8-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,21)/t13-/s2
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n/an/an/an/a 0.900n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042914
PNG
(CHEMBL3354551)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCSCC2)no1 |r|
Show InChI InChI=1/C18H28N4O3S/c1-18(2,3)14-12-15(20-25-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-26-11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 7.90E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042890
PNG
(CHEMBL3354538)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)no1 |r|
Show InChI InChI=1/C20H25N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h4-6,9-10,13,15H,7-8,11-12H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50006233
PNG
(CHEMBL3235059)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(cn2)C(F)(F)F)no1 |r|
Show InChI InChI=1S/C19H23F3N4O2/c1-18(2,3)14-10-15(25-28-14)24-17(27)13-6-4-5-9-26(13)16-8-7-12(11-23-16)19(20,21)22/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,24,25,27)/t13-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042902
PNG
(CHEMBL3354563)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C19H23N5O4S2/c25-17(21-18-20-16(22-29-18)14-6-2-1-3-7-14)15-8-4-5-9-24(15)19(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,15H,4-5,8-13H2,(H,20,21,22,25)/t15-/s2
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n/an/an/an/a 33n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042909
PNG
(CHEMBL3354556)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C17H26N4O5S/c1-12(2)13-11-15(26-19-13)18-16(22)14-5-3-4-6-21(14)17(23)20-7-9-27(24,25)10-8-20/h11-12,14H,3-10H2,1-2H3,(H,18,22)/t14-/s2
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n/an/an/an/a 108n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042916
PNG
(CHEMBL3354549)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C21H33N5O4/c1-5-18(27)24-10-12-25(13-11-24)20(29)26-9-7-6-8-15(26)19(28)22-17-14-16(30-23-17)21(2,3)4/h14-15H,5-13H2,1-4H3,(H,22,23,28)/t15-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042885
PNG
(CHEMBL3354543)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C19H30N4O5S/c1-19(2,3)15-12-16(21-28-15)20-18(25)14-6-4-5-7-23(14)17(24)13-22-8-10-29(26,27)11-9-22/h12,14H,4-11,13H2,1-3H3,(H,20,21,25)/t14-/s2
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n/an/an/an/a 167n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042920
PNG
(CHEMBL3354537)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCC(=O)N2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C19H22ClN3O3/c1-19(2,3)15-11-16(22-26-15)21-18(25)14-5-4-6-17(24)23(14)13-9-7-12(20)8-10-13/h7-11,14H,4-6H2,1-3H3,(H,21,22,25)/t14-/s2
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n/an/an/an/a 995n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042899
PNG
(CHEMBL3354529)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C20H26ClN3O2/c1-20(2,3)17-12-18(23-26-17)22-19(25)16-6-4-5-11-24(16)13-14-7-9-15(21)10-8-14/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,22,23,25)/t16-/s2
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n/an/an/an/a 3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042910
PNG
(CHEMBL3354555)
Show SMILES CC1(CC1)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C18H26N4O5S/c1-18(5-6-18)14-12-15(27-20-14)19-16(23)13-4-2-3-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,2-11H2,1H3,(H,19,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042908
PNG
(CHEMBL3354557)
Show SMILES O=C(Nc1cc(no1)C1CCCC1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C19H28N4O5S/c24-18(20-17-13-15(21-28-17)14-5-1-2-6-14)16-7-3-4-8-23(16)19(25)22-9-11-29(26,27)12-10-22/h13-14,16H,1-12H2,(H,20,24)/t16-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042887
PNG
(CHEMBL3354541)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCOCC2)no1 |r|
Show InChI InChI=1/C19H29N3O4/c1-19(2,3)15-12-16(21-26-15)20-17(23)14-6-4-5-9-22(14)18(24)13-7-10-25-11-8-13/h12-14H,4-11H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042892
PNG
(CHEMBL3354534)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCOCC2)no1 |r|
Show InChI InChI=1/C18H29N3O3/c1-18(2,3)15-12-16(20-24-15)19-17(22)14-6-4-5-9-21(14)13-7-10-23-11-8-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042893
PNG
(CHEMBL3354533)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)no1 |r|
Show InChI InChI=1/C18H29N3O2/c1-18(2,3)15-12-16(20-23-15)19-17(22)14-10-6-7-11-21(14)13-8-4-5-9-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/s2
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n/an/an/an/a 1.30E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042897
PNG
(CHEMBL3354531)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2CC2CC2)no1 |r|
Show InChI InChI=1/C17H27N3O2/c1-17(2,3)14-10-15(19-22-14)18-16(21)13-6-4-5-9-20(13)11-12-7-8-12/h10,12-13H,4-9,11H2,1-3H3,(H,18,19,21)/t13-/s2
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n/an/an/an/a 2.94E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042900
PNG
(CHEMBL3354528)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)no1 |r|
Show InChI InChI=1/C20H27N3O2/c1-20(2,3)17-13-18(22-25-17)21-19(24)16-11-7-8-12-23(16)14-15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H,21,22,24)/t16-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042901
PNG
(CHEMBL3354527)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C19H24ClN3O2/c1-19(2,3)16-12-17(22-25-16)21-18(24)15-6-4-5-11-23(15)14-9-7-13(20)8-10-14/h7-10,12,15H,4-6,11H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a 1.17E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042915
PNG
(CHEMBL3354550)
Show SMILES CC(C)(C)C(=O)N1CCN(CC1)C(=O)N1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C23H37N5O4/c1-22(2,3)17-15-18(25-32-17)24-19(29)16-9-7-8-10-28(16)21(31)27-13-11-26(12-14-27)20(30)23(4,5)6/h15-16H,7-14H2,1-6H3,(H,24,25,29)/t16-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042883
PNG
(CHEMBL3354545)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)CC2CCOCC2)no1 |r|
Show InChI InChI=1/C20H31N3O4/c1-20(2,3)16-13-17(22-27-16)21-19(25)15-6-4-5-9-23(15)18(24)12-14-7-10-26-11-8-14/h13-15H,4-12H2,1-3H3,(H,21,22,25)/t15-/s2
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n/an/an/an/a 18n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042884
PNG
(CHEMBL3354544)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C19H29N3O5S/c1-19(2,3)15-12-16(21-27-15)20-17(23)14-6-4-5-9-22(14)18(24)13-7-10-28(25,26)11-8-13/h12-14H,4-11H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 329n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042893
PNG
(CHEMBL3354533)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)no1 |r|
Show InChI InChI=1/C18H29N3O2/c1-18(2,3)15-12-16(20-23-15)19-17(22)14-10-6-7-11-21(14)13-8-4-5-9-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/s2
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n/an/an/an/a 14n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042907
PNG
(CHEMBL3354558)
Show SMILES O=C(Nc1cc(no1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C20H24N4O5S/c25-19(21-18-14-16(22-29-18)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,25)/t17-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042884
PNG
(CHEMBL3354544)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C19H29N3O5S/c1-19(2,3)15-12-16(21-27-15)20-17(23)14-6-4-5-9-22(14)18(24)13-7-10-28(25,26)11-8-13/h12-14H,4-11H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042908
PNG
(CHEMBL3354557)
Show SMILES O=C(Nc1cc(no1)C1CCCC1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C19H28N4O5S/c24-18(20-17-13-15(21-28-17)14-5-1-2-6-14)16-7-3-4-8-23(16)19(25)22-9-11-29(26,27)12-10-22/h13-14,16H,1-12H2,(H,20,24)/t16-/s2
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n/an/an/an/a 69n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042911
PNG
(CHEMBL3354554)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(27-20-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,23)/t13-/s2
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n/an/an/an/a 38n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042888
PNG
(CHEMBL3354540)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCCCC2)no1 |r|
Show InChI InChI=1/C20H31N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h13-15H,4-12H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a 15n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042901
PNG
(CHEMBL3354527)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(Cl)cc2)no1 |r|
Show InChI InChI=1/C19H24ClN3O2/c1-19(2,3)16-12-17(22-25-16)21-18(24)15-6-4-5-11-23(15)14-9-7-13(20)8-10-14/h7-10,12,15H,4-6,11H2,1-3H3,(H,21,22,24)/t15-/s2
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n/an/an/an/a 0.800n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042909
PNG
(CHEMBL3354556)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 |r|
Show InChI InChI=1/C17H26N4O5S/c1-12(2)13-11-15(26-19-13)18-16(22)14-5-3-4-6-21(14)17(23)20-7-9-27(24,25)10-8-20/h11-12,14H,3-10H2,1-2H3,(H,18,22)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042903
PNG
(CHEMBL3354562)
Show SMILES Clc1cccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc12 |r|
Show InChI InChI=1/C18H21ClN4O4S2/c19-12-4-3-6-14-15(12)20-17(28-14)21-16(24)13-5-1-2-7-23(13)18(25)22-8-10-29(26,27)11-9-22/h3-4,6,13H,1-2,5,7-11H2,(H,20,21,24)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042885
PNG
(CHEMBL3354543)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C19H30N4O5S/c1-19(2,3)15-12-16(21-28-15)20-18(25)14-6-4-5-7-23(14)17(24)13-22-8-10-29(26,27)11-9-22/h12,14H,4-11,13H2,1-3H3,(H,20,21,25)/t14-/s2
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n/an/an/an/a 1.56E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042905
PNG
(CHEMBL3354560)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1/C20H24N4O4S2/c25-18(22-19-21-16(14-29-19)15-6-2-1-3-7-15)17-8-4-5-9-24(17)20(26)23-10-12-30(27,28)13-11-23/h1-3,6-7,14,17H,4-5,8-13H2,(H,21,22,25)/t17-/s2
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n/an/an/an/a 34n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042906
PNG
(CHEMBL3354559)
Show SMILES CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)n1 |r|
Show InChI InChI=1/C18H28N4O4S2/c1-18(2,3)14-12-27-16(19-14)20-15(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042887
PNG
(CHEMBL3354541)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)C2CCOCC2)no1 |r|
Show InChI InChI=1/C19H29N3O4/c1-19(2,3)15-12-16(21-26-15)20-17(23)14-6-4-5-9-22(14)18(24)13-7-10-25-11-8-13/h12-14H,4-11H2,1-3H3,(H,20,21,23)/t14-/s2
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n/an/an/an/a 111n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042892
PNG
(CHEMBL3354534)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CCOCC2)no1 |r|
Show InChI InChI=1/C18H29N3O3/c1-18(2,3)15-12-16(20-24-15)19-17(22)14-6-4-5-9-21(14)13-7-10-23-11-8-13/h12-14H,4-11H2,1-3H3,(H,19,20,22)/t14-/s2
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n/an/an/an/a 33n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042896
PNG
(CHEMBL3354532)
Show SMILES CC(C)CN1CCCC[C@H]1C(=O)Nc1cc(on1)C(C)(C)C |r|
Show InChI InChI=1/C17H29N3O2/c1-12(2)11-20-9-7-6-8-13(20)16(21)18-15-10-14(22-19-15)17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19,21)/t13-/s2
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n/an/an/an/a 1.5n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50042898
PNG
(CHEMBL3354530)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C2CC2)no1 |r|
Show InChI InChI=1/C16H25N3O2/c1-16(2,3)13-10-14(18-21-13)17-15(20)12-6-4-5-9-19(12)11-7-8-11/h10-12H,4-9H2,1-3H3,(H,17,18,20)/t12-/s2
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n/an/an/an/a 31n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB2 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042906
PNG
(CHEMBL3354559)
Show SMILES CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)n1 |r|
Show InChI InChI=1/C18H28N4O4S2/c1-18(2,3)14-12-27-16(19-14)20-15(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50042904
PNG
(CHEMBL3354561)
Show SMILES Clc1ccc2sc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)nc2c1 |r|
Show InChI InChI=1/C18H21ClN4O4S2/c19-12-4-5-15-13(11-12)20-17(28-15)21-16(24)14-3-1-2-6-23(14)18(25)22-7-9-29(26,27)10-8-22/h4-5,11,14H,1-3,6-10H2,(H,20,21,24)/t14-/s2
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n/an/an/an/a>2.00E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50042912
PNG
(CHEMBL3354553)
Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
Show InChI InChI=1/C18H28N4O5S/c1-18(2,3)14-12-15(20-27-14)19-16(23)13-6-4-5-7-22(13)17(24)21-8-10-28(25,26)11-9-21/h12-13H,4-11H2,1-3H3,(H,19,20,23)/t13-/s2
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n/an/an/an/a 10n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced cAMP accumulation


Bioorg Med Chem Lett 25: 587-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%