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Compile Data Set for Download or QSAR

Found 584 hits with Last Name = 'gamage' and Initial = 'tf'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 1.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 1.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 2.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 2.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in HEK293 cell membranes assessed as suppression of [35S]GTPgammaS binding incubated for 60 ...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530752
PNG
(CHEMBL4527602)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)20-16-11-10-15(22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
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n/an/a 6.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530752
PNG
(CHEMBL4527602)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-13-6-8-14(9-7-13)19-17(21)20-16-11-10-15(22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
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n/an/a 6.80n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258769
PNG
(CHEMBL4096928)
Show SMILES Fc1ccc(c(F)c1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H13ClF2N2O/c20-13-4-7-15(8-5-13)23-19(25)24-16-3-1-2-12(10-16)17-9-6-14(21)11-18(17)22/h1-11H,(H2,23,24,25)
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n/an/a 18n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530750
PNG
(CHEMBL4464917)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-11-5-7-12(8-6-11)20-17(22)21-16-10-9-15(23-16)13-3-1-2-4-14(13)19/h1-10H,(H2,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530750
PNG
(CHEMBL4464917)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-11-5-7-12(8-6-11)20-17(22)21-16-10-9-15(23-16)13-3-1-2-4-14(13)19/h1-10H,(H2,20,21,22)
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n/an/a 21n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258826
PNG
(CHEMBL4067016)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C19H13Cl3N2O/c20-14-4-6-17(7-5-14)23-19(25)24-18-3-1-2-12(10-18)13-8-15(21)11-16(22)9-13/h1-11H,(H2,23,24,25)
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n/an/a 22n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530768
PNG
(CHEMBL4590582)
Show SMILES Fc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c(F)c1
Show InChI InChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23)
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n/an/a 22n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530768
PNG
(CHEMBL4590582)
Show SMILES Fc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c(F)c1
Show InChI InChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23)
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n/an/a 22n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258768
PNG
(CHEMBL4078901)
Show SMILES Fc1ccc(cc1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258768
PNG
(CHEMBL4078901)
Show SMILES Fc1ccc(cc1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258768
PNG
(CHEMBL4078901)
Show SMILES Fc1ccc(cc1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H14ClFN2O/c20-15-6-10-17(11-7-15)22-19(24)23-18-3-1-2-14(12-18)13-4-8-16(21)9-5-13/h1-12H,(H2,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584064
PNG
(CHEMBL5077368)
Show SMILES Clc1ccc(NC(=O)NCCc2cc(Cl)cc(Cl)c2)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258766
PNG
(CHEMBL4077975)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H14ClN3O3/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(12-14)23(25)26/h1-12H,(H2,21,22,24)
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n/an/a 27n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584059
PNG
(CHEMBL5080045)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584048
PNG
(CHEMBL5081586)
Show SMILES Cc1cc(C)cc(CCNC(=O)Nc2ccc(Cl)cc2)c1
PDB

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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584061
PNG
(CHEMBL5092369)
Show SMILES FC(F)(F)c1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
PDB

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TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258767
PNG
(CHEMBL4086756)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H13Cl3N2O/c20-14-5-7-15(8-6-14)23-19(25)24-16-3-1-2-12(10-16)13-4-9-17(21)18(22)11-13/h1-11H,(H2,23,24,25)
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n/an/a 30n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530749
PNG
(CHEMBL4584483)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-8-2-12(3-9-15)16-10-11-17(24-16)21-18(22)20-14-6-4-13(19)5-7-14/h2-11H,1H3,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530749
PNG
(CHEMBL4584483)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-8-2-12(3-9-15)16-10-11-17(24-16)21-18(22)20-14-6-4-13(19)5-7-14/h2-11H,1H3,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258738
PNG
(CHEMBL4070648)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H15ClN2O/c20-16-9-11-17(12-10-16)21-19(23)22-18-8-4-7-15(13-18)14-5-2-1-3-6-14/h1-13H,(H2,21,22,23)
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Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584068
PNG
(CHEMBL5086730)
Show SMILES Fc1c(F)c(F)c(CCNC(=O)Nc2ccc(Cl)cc2)c(F)c1F
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TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116215
BindingDB Entry DOI: 10.7270/Q2T43XXV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584053
PNG
(CHEMBL5086597)
Show SMILES Clc1ccc(NC(=O)NCCc2cccc(Br)c2)cc1
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TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
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n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530743
PNG
(CHEMBL4528445)
Show SMILES Clc1ccc(NC(=O)Nc2cc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-6-8-15(9-7-14)19-17(21)20-16-10-13(11-22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530743
PNG
(CHEMBL4528445)
Show SMILES Clc1ccc(NC(=O)Nc2cc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C17H13ClN2OS/c18-14-6-8-15(9-7-14)19-17(21)20-16-10-13(11-22-16)12-4-2-1-3-5-12/h1-11H,(H2,19,20,21)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530758
PNG
(CHEMBL4572697)
Show SMILES Fc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C17H12ClFN2OS/c18-12-4-6-14(7-5-12)20-17(22)21-16-9-8-15(23-16)11-2-1-3-13(19)10-11/h1-10H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530758
PNG
(CHEMBL4572697)
Show SMILES Fc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C17H12ClFN2OS/c18-12-4-6-14(7-5-12)20-17(22)21-16-9-8-15(23-16)11-2-1-3-13(19)10-11/h1-10H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530744
PNG
(CHEMBL4544453)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-12-4-6-14(7-5-12)20-17(22)21-16-9-8-15(23-16)11-2-1-3-13(19)10-11/h1-10H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530763
PNG
(CHEMBL4452850)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C17H12ClFN2OS/c18-12-3-7-14(8-4-12)20-17(22)21-16-10-9-15(23-16)11-1-5-13(19)6-2-11/h1-10H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50530753
PNG
(CHEMBL4450500)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2ccc[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-13-6-8-14(9-7-13)20-17(22)21-15-4-1-3-12(11-15)16-5-2-10-19-16/h1-11,19H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at mouse CB1 receptor by GTPgammaS assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50530753
PNG
(CHEMBL4450500)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2ccc[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-13-6-8-14(9-7-13)20-17(22)21-15-4-1-3-12(11-15)16-5-2-10-19-16/h1-11,19H,(H2,20,21,22)
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at mouse CB1 receptor by GTPgammaS assay

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530763
PNG
(CHEMBL4452850)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C17H12ClFN2OS/c18-12-3-7-14(8-4-12)20-17(22)21-16-10-9-15(23-16)11-1-5-13(19)6-2-11/h1-10H,(H2,20,21,22)
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n/an/a 40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530744
PNG
(CHEMBL4544453)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-12-4-6-14(7-5-12)20-17(22)21-16-9-8-15(23-16)11-2-1-3-13(19)10-11/h1-10H,(H2,20,21,22)
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n/an/a 40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50584045
PNG
(CHEMBL5079805)
Show SMILES Cc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Allosteric antagonist activity at human CB1 receptor expressed in CHO-RD-HGA16 cells overexpressing Galpha16 assessed as inhibition of CP55940-stimul...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01432
BindingDB Entry DOI: 10.7270/Q2XP78TM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50023629
PNG
(CHEMBL3341861)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1
Show InChI InChI=1S/C22H21ClN4O/c23-17-9-11-18(12-10-17)24-22(28)25-19-6-3-5-16(15-19)20-7-4-8-21(26-20)27-13-1-2-14-27/h3-12,15H,1-2,13-14H2,(H2,24,25,28)
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n/an/a 42n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of CB1 receptor in rat cerebellar membranes assessed as inhibition of CP55,940-induced [35S]GTPgammaS binding

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530745
PNG
(CHEMBL4565127)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-12-3-1-11(2-4-12)15-9-10-16(23-15)21-17(22)20-14-7-5-13(19)6-8-14/h1-10H,(H2,20,21,22)
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n/an/a 43n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50530745
PNG
(CHEMBL4565127)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(s2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-12-3-1-11(2-4-12)15-9-10-16(23-15)21-17(22)20-14-7-5-13(19)6-8-14/h1-10H,(H2,20,21,22)
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n/an/a 43n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 cells co-expressing Galpha16 assessed as suppression of 100 nM CP55,940...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50258802
PNG
(CHEMBL4089126)
Show SMILES Clc1ccc(NC(=O)Nc2cccc(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-14-7-9-15(10-8-14)21-18(23)22-16-5-3-4-13(12-16)17-6-1-2-11-20-17/h1-12H,(H2,21,22,23)
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n/an/a 47n/an/an/an/an/an/a



Research Triangle Institute , Research Triangle Park, North Carolina 27709, United States.

Curated by ChEMBL


Assay Description
Allosteric modulation of human CB1 receptor expressed in CHO cells co-expressing Galpha16 assessed as inhibition of CP55,940-induced calcium mobiliza...

J Med Chem 60: 7410-7424 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00707
BindingDB Entry DOI: 10.7270/Q2XK8J0H
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50530768
PNG
(CHEMBL4590582)
Show SMILES Fc1ccc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)s2)c(F)c1
Show InChI InChI=1S/C17H11ClF2N2OS/c18-10-1-4-12(5-2-10)21-17(23)22-16-8-7-15(24-16)13-6-3-11(19)9-14(13)20/h1-9H,(H2,21,22,23)
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n/an/a 48n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric modulator activity at CB1 receptor in mouse cerebellar membranes assessed as suppression of 1 uM CP55,940-induced [35S]GTPgammaS binding i...

J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
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