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PubMed code 21354795

Compile data set for download or QSAR
Found 95 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 2D6


(Homo sapiens (Human))		BDBM50341023
PNG
(CHEMBL1762293 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CYP2D6 flourescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50340991
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C18H29N5O5S/c1-18(2,3)14-13-15(20-28-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-29(26,27)12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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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 CYP3A4 using flourescent probe 7-benzyloxyquinoline and 7-benzyloxy-4-(trifluoromethyl)-coumarin)

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50341008
PNG
(4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ace...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C19H31N5O5S/c1-19(2,3)15-13-16(21-29-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-30(27,28)12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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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 CYP2D6 flourescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50341008
PNG
(4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ace...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C19H31N5O5S/c1-19(2,3)15-13-16(21-29-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-30(27,28)12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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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 CYP3A4 using flourescent probe 7-benzyloxyquinoline and 7-benzyloxy-4-(trifluoromethyl)-coumarin)

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50340991
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C18H29N5O5S/c1-18(2,3)14-13-15(20-28-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-29(26,27)12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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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 CYP2C9 using flourescent probe 7-methoxy-4-trifluoromethylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50340991
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C18H29N5O5S/c1-18(2,3)14-13-15(20-28-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-29(26,27)12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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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 CYP2D6 flourescent probe 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50341008
PNG
(4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ace...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C19H31N5O5S/c1-19(2,3)15-13-16(21-29-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-30(27,28)12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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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 CYP2C9 using flourescent probe 7-methoxy-4-trifluoromethylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50341023
PNG
(CHEMBL1762293 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CYP2C9 using flourescent probe 7-methoxy-4-trifluoromethylcoumarin

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50341023
PNG
(CHEMBL1762293 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CYP3A4 using flourescent probe 7-benzyloxyquinoline and 7-benzyloxy-4-(trifluoromethyl)-coumarin)

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340992
PNG
(CHEMBL1762298 | N-(5-tert-butylthiazol-2-yl)-4-(te...)
Show SMILES CC(C)(C)c1cnc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)s1
Show InChI InChI=1S/C19H30N4O3S/c1-19(2,3)15-13-20-17(27-15)21-18(25)23-8-4-7-22(9-10-23)16(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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n/an/an/an/a 150n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340998
PNG
(CHEMBL1762417 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCOC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-12-16(21-27-15)20-18(25)23-8-5-7-22(9-10-23)17(24)14-6-4-11-26-13-14/h12,14H,4-11,13H2,1-3H3,(H,20,21,25)
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n/an/an/an/a 2.05E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341008
PNG
(4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ace...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C19H31N5O5S/c1-19(2,3)15-13-16(21-29-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-30(27,28)12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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n/an/an/an/a 107n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340997
PNG
(CHEMBL1762416 | N-(3-tert-butyl-1H-pyrazol-5-yl)-4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)[nH]n1
Show InChI InChI=1S/C19H31N5O3/c1-19(2,3)15-13-16(22-21-15)20-18(26)24-8-4-7-23(9-10-24)17(25)14-5-11-27-12-6-14/h13-14H,4-12H2,1-3H3,(H2,20,21,22,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341000
PNG
(CHEMBL1762419 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCO2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-17(24)22-8-5-7-21(9-10-22)16(23)13-6-4-11-25-13/h12-13H,4-11H2,1-3H3,(H,19,20,24)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340999
PNG
(CHEMBL1762418 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCCO2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-9-6-8-22(10-11-23)17(24)14-7-4-5-12-26-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341012
PNG
(CHEMBL1762432 | N1-(5-tert-butylisoxazol-3-yl)-N4-...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)NC2CCOCC2)no1
Show InChI InChI=1S/C19H31N5O4/c1-19(2,3)15-13-16(22-28-15)21-18(26)24-8-4-7-23(9-10-24)17(25)20-14-5-11-27-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,25)(H,21,22,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341028
PNG
(4-(3-cyclopentylpropanoyl)-N-p-tolyl-1,4-diazepane...)
Show SMILES Cc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C21H31N3O2/c1-17-7-10-19(11-8-17)22-21(26)24-14-4-13-23(15-16-24)20(25)12-9-18-5-2-3-6-18/h7-8,10-11,18H,2-6,9,12-16H2,1H3,(H,22,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341016
PNG
(CHEMBL1762287 | N-(4-tert-butylphenyl)-4-(4-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H28ClN3O2/c1-23(2,3)18-7-11-20(12-8-18)25-22(29)27-14-4-13-26(15-16-27)21(28)17-5-9-19(24)10-6-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)
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n/an/an/an/a 9.80n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341025
PNG
(CHEMBL1762294 | N-(3-tert-butylisoxazol-5-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)on1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(27-21-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,25)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340993
PNG
(CHEMBL1762299 | N-(5-phenylthiazol-2-yl)-4-(tetrah...)
Show SMILES O=C(Nc1ncc(s1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O3S/c26-19(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)23-20-22-15-18(29-20)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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n/an/an/an/a 135n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341016
PNG
(CHEMBL1762287 | N-(4-tert-butylphenyl)-4-(4-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H28ClN3O2/c1-23(2,3)18-7-11-20(12-8-18)25-22(29)27-14-4-13-26(15-16-27)21(28)17-5-9-19(24)10-6-17/h5-12H,4,13-16H2,1-3H3,(H,25,29)
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n/an/an/an/a 1.47E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341020
PNG
(CHEMBL1762290 | N-(4-tert-butylphenyl)-4-(4-(trifl...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H28F3N3O2/c1-23(2,3)18-9-11-20(12-10-18)28-22(32)30-14-4-13-29(15-16-30)21(31)17-5-7-19(8-6-17)24(25,26)27/h5-12H,4,13-16H2,1-3H3,(H,28,32)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341023
PNG
(CHEMBL1762293 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341024
PNG
(CHEMBL1762295 | N-(5-methylisoxazol-3-yl)-4-(tetra...)
Show SMILES Cc1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C16H24N4O4/c1-12-11-14(18-24-12)17-16(22)20-6-2-5-19(7-8-20)15(21)13-3-9-23-10-4-13/h11,13H,2-10H2,1H3,(H,17,18,22)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340993
PNG
(CHEMBL1762299 | N-(5-phenylthiazol-2-yl)-4-(tetrah...)
Show SMILES O=C(Nc1ncc(s1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O3S/c26-19(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)23-20-22-15-18(29-20)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340994
PNG
(CHEMBL1762300 | N-(4-tert-butylthiazol-2-yl)-4-(te...)
Show SMILES CC(C)(C)c1csc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)n1
Show InChI InChI=1S/C19H30N4O3S/c1-19(2,3)15-13-27-17(20-15)21-18(25)23-8-4-7-22(9-10-23)16(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341001
PNG
(CHEMBL1762420 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOC2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-11-15(20-26-14)19-17(24)22-7-4-6-21(8-9-22)16(23)13-5-10-25-12-13/h11,13H,4-10,12H2,1-3H3,(H,19,20,24)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341004
PNG
(4-(1-acetylpiperidine-4-carbonyl)-N-(5-tert-butyli...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCCN(CC1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C21H33N5O4/c1-15(27)24-10-6-16(7-11-24)19(28)25-8-5-9-26(13-12-25)20(29)22-18-14-17(30-23-18)21(2,3)4/h14,16H,5-13H2,1-4H3,(H,22,23,29)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341029
PNG
(4-(3-cyclopentylpropanoyl)-N-phenyl-1,4-diazepane-...)
Show SMILES O=C(CCC1CCCC1)N1CCCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H29N3O2/c24-19(12-11-17-7-4-5-8-17)22-13-6-14-23(16-15-22)20(25)21-18-9-2-1-3-10-18/h1-3,9-10,17H,4-8,11-16H2,(H,21,25)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341032
PNG
(4-(3-cyclopentylpropanoyl)-N-(4-isopropylphenyl)-1...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-18(2)20-9-11-21(12-10-20)24-23(28)26-15-5-14-25(16-17-26)22(27)13-8-19-6-3-4-7-19/h9-12,18-19H,3-8,13-17H2,1-2H3,(H,24,28)
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n/an/an/an/a 123n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341031
PNG
(4-(3-cyclopentylpropanoyl)-N-(4-ethylphenyl)-1,4-d...)
Show SMILES CCc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C22H33N3O2/c1-2-18-8-11-20(12-9-18)23-22(27)25-15-5-14-24(16-17-25)21(26)13-10-19-6-3-4-7-19/h8-9,11-12,19H,2-7,10,13-17H2,1H3,(H,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341018
PNG
(CHEMBL1762288 | N-(4-tert-butylphenyl)-4-(3,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)17-5-7-20(8-6-17)26-22(30)28-10-4-9-27(11-12-28)21(29)16-13-18(24)15-19(25)14-16/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
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n/an/an/an/a 215n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341021
PNG
(CHEMBL1762291 | N-(4-tert-butylphenyl)-4-(4-(dimet...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H34N4O2/c1-25(2,3)20-9-11-21(12-10-20)26-24(31)29-16-6-15-28(17-18-29)23(30)19-7-13-22(14-8-19)27(4)5/h7-14H,6,15-18H2,1-5H3,(H,26,31)
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n/an/an/an/a 49n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341023
PNG
(CHEMBL1762293 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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n/an/an/an/a 67n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341026
PNG
(CHEMBL1762297 | N-(5-phenylisoxazol-3-yl)-4-(tetra...)
Show SMILES O=C(Nc1cc(on1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O4/c26-20(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)22-19-15-18(29-23-19)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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n/an/an/an/a 1.94E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340996
PNG
(CHEMBL1762302 | N-(3-tert-butyl-1-methyl-1H-pyrazo...)
Show SMILES Cn1nc(cc1NC(=O)N1CCCN(CC1)C(=O)C1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C20H33N5O3/c1-20(2,3)16-14-17(23(4)22-16)21-19(27)25-9-5-8-24(10-11-25)18(26)15-6-12-28-13-7-15/h14-15H,5-13H2,1-4H3,(H,21,27)
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n/an/an/an/a 1.49E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341007
PNG
(CHEMBL1762426 | N-(5-tert-butylisoxazol-3-yl)-4-(2...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCOCC2)no1
Show InChI InChI=1S/C19H31N5O4/c1-19(2,3)15-13-16(21-28-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-27-12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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n/an/an/an/a 157n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340998
PNG
(CHEMBL1762417 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCOC2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-12-16(21-27-15)20-18(25)23-8-5-7-22(9-10-23)17(24)14-6-4-11-26-13-14/h12,14H,4-11,13H2,1-3H3,(H,20,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341003
PNG
(CHEMBL1762422 | Trans-N-(5-tert-butylisoxazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,wD:22.23,(7.53,-39.36,;6.3,-38.45,;6.48,-36.92,;7.62,-37.67,;4.89,-39.06,;3.56,-38.27,;2.4,-39.29,;.9,-38.96,;-.14,-40.09,;.32,-41.56,;-1.64,-39.76,;-1.99,-38.27,;-3.39,-37.61,;-4.8,-38.36,;-5.06,-39.83,;-4.11,-41.01,;-2.63,-41.01,;-6.55,-40.22,;-6.97,-41.7,;-7.63,-39.12,;-9.11,-39.51,;-10.19,-38.4,;-9.77,-36.92,;-10.84,-35.81,;-8.28,-36.54,;-7.21,-37.64,;3.02,-40.71,;4.55,-40.56,)|
Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15-
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341005
PNG
(CHEMBL1762424 | N-(5-tert-butylisoxazol-3-yl)-4-(1...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C20H33N5O5S/c1-20(2,3)16-14-17(22-30-16)21-19(27)24-9-5-8-23(12-13-24)18(26)15-6-10-25(11-7-15)31(4,28)29/h14-15H,5-13H2,1-4H3,(H,21,22,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341028
PNG
(4-(3-cyclopentylpropanoyl)-N-p-tolyl-1,4-diazepane...)
Show SMILES Cc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C21H31N3O2/c1-17-7-10-19(11-8-17)22-21(26)24-14-4-13-23(15-16-24)20(25)12-9-18-5-2-3-6-18/h7-8,10-11,18H,2-6,9,12-16H2,1H3,(H,22,26)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341006
PNG
(CHEMBL1762425 | N-(5-tert-butylisoxazol-3-yl)-4-(p...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCNCC2)no1
Show InChI InChI=1S/C19H31N5O3/c1-19(2,3)15-13-16(22-27-15)21-18(26)24-10-4-9-23(11-12-24)17(25)14-5-7-20-8-6-14/h13-14,20H,4-12H2,1-3H3,(H,21,22,26)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341011
PNG
(CHEMBL1762431 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCC(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C20H33N5O5S/c1-20(2,3)16-14-17(22-30-16)21-18(26)23-8-5-9-24(13-12-23)19(27)25-10-6-15(7-11-25)31(4,28)29/h14-15H,5-13H2,1-4H3,(H,21,22,26)
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n/an/an/an/a 426n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341012
PNG
(CHEMBL1762432 | N1-(5-tert-butylisoxazol-3-yl)-N4-...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)NC2CCOCC2)no1
Show InChI InChI=1S/C19H31N5O4/c1-19(2,3)15-13-16(22-28-15)21-18(26)24-8-4-7-23(9-10-24)17(25)20-14-5-11-27-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,25)(H,21,22,26)
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n/an/an/an/a 814n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341013
PNG
(CHEMBL1762283 | N-(4-tert-butylphenyl)-4-(2-cyclop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CC2CCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-23(2,3)19-9-11-20(12-10-19)24-22(28)26-14-6-13-25(15-16-26)21(27)17-18-7-4-5-8-18/h9-12,18H,4-8,13-17H2,1-3H3,(H,24,28)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341032
PNG
(4-(3-cyclopentylpropanoyl)-N-(4-isopropylphenyl)-1...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-18(2)20-9-11-21(12-10-20)24-23(28)26-15-5-14-25(16-17-26)22(27)13-8-19-6-3-4-7-19/h9-12,18-19H,3-8,13-17H2,1-2H3,(H,24,28)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341033
PNG
(CHEMBL1762282 | N-(4-tert-butylphenyl)-4-(3-cyclop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-24(2,3)20-10-12-21(13-11-20)25-23(29)27-16-6-15-26(17-18-27)22(28)14-9-19-7-4-5-8-19/h10-13,19H,4-9,14-18H2,1-3H3,(H,25,29)
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n/an/an/an/a 1.93E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341014
PNG
(CHEMBL1762284 | N-(4-tert-butylphenyl)-4-(cyclopen...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCCC2)cc1
Show InChI InChI=1S/C22H33N3O2/c1-22(2,3)18-9-11-19(12-10-18)23-21(27)25-14-6-13-24(15-16-25)20(26)17-7-4-5-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,27)
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n/an/an/an/a 168n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341019
PNG
(CHEMBL1762289 | N-(4-tert-butylphenyl)-4-(2,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)16-5-8-18(9-6-16)26-22(30)28-12-4-11-27(13-14-28)21(29)19-15-17(24)7-10-20(19)25/h5-10,15H,4,11-14H2,1-3H3,(H,26,30)
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n/an/an/an/a 87n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341022
PNG
(CHEMBL1762292 | N-(4-tert-butylphenyl)-4-(tetrahyd...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C22H33N3O3/c1-22(2,3)18-5-7-19(8-6-18)23-21(27)25-12-4-11-24(13-14-25)20(26)17-9-15-28-16-10-17/h5-8,17H,4,9-16H2,1-3H3,(H,23,27)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340994
PNG
(CHEMBL1762300 | N-(4-tert-butylthiazol-2-yl)-4-(te...)
Show SMILES CC(C)(C)c1csc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)n1
Show InChI InChI=1S/C19H30N4O3S/c1-19(2,3)15-13-27-17(20-15)21-18(25)23-8-4-7-22(9-10-23)16(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341000
PNG
(CHEMBL1762419 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCO2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-12-15(20-26-14)19-17(24)22-8-5-7-21(9-10-22)16(23)13-6-4-11-25-13/h12-13H,4-11H2,1-3H3,(H,19,20,24)
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n/an/an/an/a 4.03E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341001
PNG
(CHEMBL1762420 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOC2)no1
Show InChI InChI=1S/C18H28N4O4/c1-18(2,3)14-11-15(20-26-14)19-17(24)22-7-4-6-21(8-9-22)16(23)13-5-10-25-12-13/h11,13H,4-10,12H2,1-3H3,(H,19,20,24)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341003
PNG
(CHEMBL1762422 | Trans-N-(5-tert-butylisoxazol-3-yl...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,wD:22.23,(7.53,-39.36,;6.3,-38.45,;6.48,-36.92,;7.62,-37.67,;4.89,-39.06,;3.56,-38.27,;2.4,-39.29,;.9,-38.96,;-.14,-40.09,;.32,-41.56,;-1.64,-39.76,;-1.99,-38.27,;-3.39,-37.61,;-4.8,-38.36,;-5.06,-39.83,;-4.11,-41.01,;-2.63,-41.01,;-6.55,-40.22,;-6.97,-41.7,;-7.63,-39.12,;-9.11,-39.51,;-10.19,-38.4,;-9.77,-36.92,;-10.84,-35.81,;-8.28,-36.54,;-7.21,-37.64,;3.02,-40.71,;4.55,-40.56,)|
Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15-
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n/an/an/an/a 1.16E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340991
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C18H29N5O5S/c1-18(2,3)14-13-15(20-28-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-29(26,27)12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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n/an/an/an/a 135n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341009
PNG
(CHEMBL1762428 | N-(5-tert-butylisoxazol-3-yl)-4-(m...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCOCC2)no1
Show InChI InChI=1S/C18H29N5O4/c1-18(2,3)14-13-15(20-27-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-26-12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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n/an/an/an/a 177n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341014
PNG
(CHEMBL1762284 | N-(4-tert-butylphenyl)-4-(cyclopen...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCCC2)cc1
Show InChI InChI=1S/C22H33N3O2/c1-22(2,3)18-9-11-19(12-10-18)23-21(27)25-14-6-13-24(15-16-25)20(26)17-7-4-5-8-17/h9-12,17H,4-8,13-16H2,1-3H3,(H,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341017
PNG
(CHEMBL1762286 | N-(4-tert-butylphenyl)-4-(4-methyl...)
Show SMILES CC(C)CCC(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H35N3O2/c1-17(2)7-12-20(26)24-13-6-14-25(16-15-24)21(27)23-19-10-8-18(9-11-19)22(3,4)5/h8-11,17H,6-7,12-16H2,1-5H3,(H,23,27)
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n/an/an/an/a 1.98E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341021
PNG
(CHEMBL1762291 | N-(4-tert-butylphenyl)-4-(4-(dimet...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H34N4O2/c1-25(2,3)20-9-11-21(12-10-20)26-24(31)29-16-6-15-28(17-18-29)23(30)19-7-13-22(14-8-19)27(4)5/h7-14H,6,15-18H2,1-5H3,(H,26,31)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341026
PNG
(CHEMBL1762297 | N-(5-phenylisoxazol-3-yl)-4-(tetra...)
Show SMILES O=C(Nc1cc(on1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O4/c26-20(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)22-19-15-18(29-23-19)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340992
PNG
(CHEMBL1762298 | N-(5-tert-butylthiazol-2-yl)-4-(te...)
Show SMILES CC(C)(C)c1cnc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)s1
Show InChI InChI=1S/C19H30N4O3S/c1-19(2,3)15-13-20-17(27-15)21-18(25)23-8-4-7-22(9-10-23)16(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340995
PNG
(CHEMBL1762301 | N-(4-phenylthiazol-2-yl)-4-(tetrah...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O3S/c26-19(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)23-20-22-18(15-29-20)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341009
PNG
(CHEMBL1762428 | N-(5-tert-butylisoxazol-3-yl)-4-(m...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCOCC2)no1
Show InChI InChI=1S/C18H29N5O4/c1-18(2,3)14-13-15(20-27-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-26-12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341030
PNG
(CHEMBL1762277 | N-(4-butylphenyl)-4-(3-cyclopentyl...)
Show SMILES CCCCc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-2-3-7-21-10-13-22(14-11-21)25-24(29)27-17-6-16-26(18-19-27)23(28)15-12-20-8-4-5-9-20/h10-11,13-14,20H,2-9,12,15-19H2,1H3,(H,25,29)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341020
PNG
(CHEMBL1762290 | N-(4-tert-butylphenyl)-4-(4-(trifl...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H28F3N3O2/c1-23(2,3)18-9-11-20(12-10-18)28-22(32)30-14-4-13-29(15-16-30)21(31)17-5-7-19(8-6-17)24(25,26)27/h5-12H,4,13-16H2,1-3H3,(H,28,32)
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n/an/an/an/a 2.70n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341024
PNG
(CHEMBL1762295 | N-(5-methylisoxazol-3-yl)-4-(tetra...)
Show SMILES Cc1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
Show InChI InChI=1S/C16H24N4O4/c1-12-11-14(18-24-12)17-16(22)20-6-2-5-19(7-8-20)15(21)13-3-9-23-10-4-13/h11,13H,2-10H2,1H3,(H,17,18,22)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341027
PNG
(CHEMBL1762296 | N-(4,5-dimethylisoxazol-3-yl)-4-(t...)
Show SMILES Cc1onc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)c1C
Show InChI InChI=1S/C17H26N4O4/c1-12-13(2)25-19-15(12)18-17(23)21-7-3-6-20(8-9-21)16(22)14-4-10-24-11-5-14/h14H,3-11H2,1-2H3,(H,18,19,23)
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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 CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340999
PNG
(CHEMBL1762418 | N-(5-tert-butylisoxazol-3-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCCCO2)no1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(21-27-15)20-18(25)23-9-6-8-22(10-11-23)17(24)14-7-4-5-12-26-14/h13-14H,4-12H2,1-3H3,(H,20,21,25)
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n/an/an/an/a 750n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341005
PNG
(CHEMBL1762424 | N-(5-tert-butylisoxazol-3-yl)-4-(1...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C20H33N5O5S/c1-20(2,3)16-14-17(22-30-16)21-19(27)24-9-5-8-23(12-13-24)18(26)15-6-10-25(11-7-15)31(4,28)29/h14-15H,5-13H2,1-4H3,(H,21,22,27)
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n/an/an/an/a 1.69E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341015
PNG
(CHEMBL1762285 | N-(4-tert-butylphenyl)-4-(cyclohex...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-23(2,3)19-10-12-20(13-11-19)24-22(28)26-15-7-14-25(16-17-26)21(27)18-8-5-4-6-9-18/h10-13,18H,4-9,14-17H2,1-3H3,(H,24,28)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341027
PNG
(CHEMBL1762296 | N-(4,5-dimethylisoxazol-3-yl)-4-(t...)
Show SMILES Cc1onc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)c1C
Show InChI InChI=1S/C17H26N4O4/c1-12-13(2)25-19-15(12)18-17(23)21-7-3-6-20(8-9-21)16(22)14-4-10-24-11-5-14/h14H,3-11H2,1-2H3,(H,18,19,23)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341006
PNG
(CHEMBL1762425 | N-(5-tert-butylisoxazol-3-yl)-4-(p...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCNCC2)no1
Show InChI InChI=1S/C19H31N5O3/c1-19(2,3)15-13-16(22-27-15)21-18(26)24-10-4-9-23(11-12-24)17(25)14-5-7-20-8-6-14/h13-14,20H,4-12H2,1-3H3,(H,21,22,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341008
PNG
(4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ace...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C19H31N5O5S/c1-19(2,3)15-13-16(21-29-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-30(27,28)12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340997
PNG
(CHEMBL1762416 | N-(3-tert-butyl-1H-pyrazol-5-yl)-4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)[nH]n1
Show InChI InChI=1S/C19H31N5O3/c1-19(2,3)15-13-16(22-21-15)20-18(26)24-8-4-7-23(9-10-24)17(25)14-5-11-27-12-6-14/h13-14H,4-12H2,1-3H3,(H2,20,21,22,26)
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n/an/an/an/a 1.32E+4n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341018
PNG
(CHEMBL1762288 | N-(4-tert-butylphenyl)-4-(3,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)17-5-7-20(8-6-17)26-22(30)28-10-4-9-27(11-12-28)21(29)16-13-18(24)15-19(25)14-16/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,30)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341019
PNG
(CHEMBL1762289 | N-(4-tert-butylphenyl)-4-(2,5-dich...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H27Cl2N3O2/c1-23(2,3)16-5-8-18(9-6-16)26-22(30)28-12-4-11-27(13-14-28)21(29)19-15-17(24)7-10-20(19)25/h5-10,15H,4,11-14H2,1-3H3,(H,26,30)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341022
PNG
(CHEMBL1762292 | N-(4-tert-butylphenyl)-4-(tetrahyd...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)cc1
Show InChI InChI=1S/C22H33N3O3/c1-22(2,3)18-5-7-19(8-6-18)23-21(27)25-12-4-11-24(13-14-25)20(26)17-9-15-28-16-10-17/h5-8,17H,4,9-16H2,1-3H3,(H,23,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341002
PNG
(CHEMBL1762421 | cis-N-(5-tert-butylisoxazol-3-yl)-...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,22.23,(28.39,-33.64,;27.16,-32.72,;27.34,-31.19,;28.48,-31.94,;25.75,-33.33,;24.42,-32.55,;23.26,-33.57,;21.76,-33.23,;20.72,-34.37,;21.18,-35.84,;19.22,-34.03,;18.87,-32.54,;17.47,-31.89,;16.06,-32.63,;15.8,-34.11,;16.75,-35.29,;18.23,-35.29,;14.31,-34.49,;13.89,-35.98,;13.23,-33.39,;13.65,-31.91,;12.58,-30.82,;11.09,-31.19,;10.02,-30.09,;10.67,-32.68,;11.75,-33.78,;23.88,-34.98,;25.41,-34.84,)|
Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15+
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341007
PNG
(CHEMBL1762426 | N-(5-tert-butylisoxazol-3-yl)-4-(2...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCOCC2)no1
Show InChI InChI=1S/C19H31N5O4/c1-19(2,3)15-13-16(21-28-15)20-18(26)24-6-4-5-23(7-8-24)17(25)14-22-9-11-27-12-10-22/h13H,4-12,14H2,1-3H3,(H,20,21,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340991
PNG
(4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
Show InChI InChI=1S/C18H29N5O5S/c1-18(2,3)14-13-15(20-28-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-29(26,27)12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341031
PNG
(4-(3-cyclopentylpropanoyl)-N-(4-ethylphenyl)-1,4-d...)
Show SMILES CCc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C22H33N3O2/c1-2-18-8-11-20(12-9-18)23-22(27)25-15-5-14-24(16-17-25)21(26)13-10-19-6-3-4-7-19/h8-9,11-12,19H,2-7,10,13-17H2,1H3,(H,23,27)
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n/an/an/an/a 226n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50340995
PNG
(CHEMBL1762301 | N-(4-phenylthiazol-2-yl)-4-(tetrah...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)N1CCCN(CC1)C(=O)C1CCOCC1
Show InChI InChI=1S/C21H26N4O3S/c26-19(17-7-13-28-14-8-17)24-9-4-10-25(12-11-24)21(27)23-20-22-18(15-29-20)16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,22,23,27)
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n/an/an/an/a 450n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341002
PNG
(CHEMBL1762421 | cis-N-(5-tert-butylisoxazol-3-yl)-...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,22.23,(28.39,-33.64,;27.16,-32.72,;27.34,-31.19,;28.48,-31.94,;25.75,-33.33,;24.42,-32.55,;23.26,-33.57,;21.76,-33.23,;20.72,-34.37,;21.18,-35.84,;19.22,-34.03,;18.87,-32.54,;17.47,-31.89,;16.06,-32.63,;15.8,-34.11,;16.75,-35.29,;18.23,-35.29,;14.31,-34.49,;13.89,-35.98,;13.23,-33.39,;13.65,-31.91,;12.58,-30.82,;11.09,-31.19,;10.02,-30.09,;10.67,-32.68,;11.75,-33.78,;23.88,-34.98,;25.41,-34.84,)|
Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15+
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n/an/an/an/a 8.40n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341004
PNG
(4-(1-acetylpiperidine-4-carbonyl)-N-(5-tert-butyli...)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCCN(CC1)C(=O)Nc1cc(on1)C(C)(C)C
Show InChI InChI=1S/C21H33N5O4/c1-15(27)24-10-6-16(7-11-24)19(28)25-8-5-9-26(13-12-25)20(29)22-18-14-17(30-23-18)21(2,3)4/h14,16H,5-13H2,1-4H3,(H,22,23,29)
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n/an/an/an/a 1.35E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341010
PNG
(CHEMBL1762430 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H32N6O5S/c1-19(2,3)15-14-16(21-30-15)20-17(26)22-6-5-7-23(9-8-22)18(27)24-10-12-25(13-11-24)31(4,28)29/h14H,5-13H2,1-4H3,(H,20,21,26)
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n/an/an/an/a 2.87E+3n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341025
PNG
(CHEMBL1762294 | N-(3-tert-butylisoxazol-5-yl)-4-(t...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)on1
Show InChI InChI=1S/C19H30N4O4/c1-19(2,3)15-13-16(27-21-15)20-18(25)23-8-4-7-22(9-10-23)17(24)14-5-11-26-12-6-14/h13-14H,4-12H2,1-3H3,(H,20,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50340996
PNG
(CHEMBL1762302 | N-(3-tert-butyl-1-methyl-1H-pyrazo...)
Show SMILES Cn1nc(cc1NC(=O)N1CCCN(CC1)C(=O)C1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C20H33N5O3/c1-20(2,3)16-14-17(23(4)22-16)21-19(27)25-9-5-8-24(10-11-25)18(26)15-6-12-28-13-7-15/h14-15H,5-13H2,1-4H3,(H,21,27)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341010
PNG
(CHEMBL1762430 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCN(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C19H32N6O5S/c1-19(2,3)15-14-16(21-30-15)20-17(26)22-6-5-7-23(9-8-22)18(27)24-10-12-25(13-11-24)31(4,28)29/h14H,5-13H2,1-4H3,(H,20,21,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341011
PNG
(CHEMBL1762431 | N-(5-tert-butylisoxazol-3-yl)-4-(4...)
Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCC(CC2)S(C)(=O)=O)no1
Show InChI InChI=1S/C20H33N5O5S/c1-20(2,3)16-14-17(22-30-16)21-18(26)23-8-5-9-24(13-12-23)19(27)25-10-6-15(7-11-25)31(4,28)29/h14-15H,5-13H2,1-4H3,(H,21,22,26)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341030
PNG
(CHEMBL1762277 | N-(4-butylphenyl)-4-(3-cyclopentyl...)
Show SMILES CCCCc1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-2-3-7-21-10-13-22(14-11-21)25-24(29)27-17-6-16-26(18-19-27)23(28)15-12-20-8-4-5-9-20/h10-11,13-14,20H,2-9,12,15-19H2,1H3,(H,25,29)
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n/an/an/an/a 136n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341033
PNG
(CHEMBL1762282 | N-(4-tert-butylphenyl)-4-(3-cyclop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CCC2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-24(2,3)20-10-12-21(13-11-20)25-23(29)27-16-6-15-26(17-18-27)22(28)14-9-19-7-4-5-8-19/h10-13,19H,4-9,14-18H2,1-3H3,(H,25,29)
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n/an/an/an/a 85n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50341029
PNG
(4-(3-cyclopentylpropanoyl)-N-phenyl-1,4-diazepane-...)
Show SMILES O=C(CCC1CCCC1)N1CCCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C20H29N3O2/c24-19(12-11-17-7-4-5-8-17)22-13-6-14-23(16-15-22)20(25)21-18-9-2-1-3-10-18/h1-3,9-10,17H,4-8,11-16H2,(H,21,25)
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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 CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341013
PNG
(CHEMBL1762283 | N-(4-tert-butylphenyl)-4-(2-cyclop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)CC2CCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-23(2,3)19-9-11-20(12-10-19)24-22(28)26-14-6-13-25(15-16-26)21(27)17-18-7-4-5-8-18/h9-12,18H,4-8,13-17H2,1-3H3,(H,24,28)
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n/an/an/an/a 60n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341015
PNG
(CHEMBL1762285 | N-(4-tert-butylphenyl)-4-(cyclohex...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCCN(CC2)C(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-23(2,3)19-10-12-20(13-11-19)24-22(28)26-15-7-14-25(16-17-26)21(27)18-8-5-4-6-9-18/h10-13,18H,4-9,14-17H2,1-3H3,(H,24,28)
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n/an/an/an/a 20n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50341017
PNG
(CHEMBL1762286 | N-(4-tert-butylphenyl)-4-(4-methyl...)
Show SMILES CC(C)CCC(=O)N1CCCN(CC1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H35N3O2/c1-17(2)7-12-20(26)24-13-6-14-25(16-15-24)21(27)23-19-10-8-18(9-11-19)22(3,4)5/h8-11,17H,6-7,12-16H2,1-5H3,(H,23,27)
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n/an/an/an/a 96n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production

Bioorg Med Chem Lett 21: 2011-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.017
BindingDB Entry DOI: 10.7270/Q2KK9C2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%