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PubMed code 19743867

Compile data set for download or QSAR
Found 51 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 2C9


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/a 4.70E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/a 2.40E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/a 2.80E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/a 2.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/a 4.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/a 4.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/a 4.80E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50211843
PNG
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)
Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302374
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NC3CCOCC3)c12
Show InChI InChI=1S/C20H21ClN4O2/c1-12-10-22-18-17(12)16(20(26)25-14-5-7-27-8-6-14)11-23-19(18)24-15-4-2-3-13(21)9-15/h2-4,9-11,14,22H,5-8H2,1H3,(H,23,24)(H,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302375
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCc3ccc(F)cc3)c12
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-25-20-19(13)18(22(29)27-11-14-5-7-16(24)8-6-14)12-26-21(20)28-17-4-2-3-15(23)9-17/h2-10,12,25H,11H2,1H3,(H,26,28)(H,27,29)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302377
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c12
Show InChI InChI=1S/C19H19ClN4O/c1-12-10-21-17-16(12)15(19(25)24-7-2-3-8-24)11-22-18(17)23-14-6-4-5-13(20)9-14/h4-6,9-11,21H,2-3,7-8H2,1H3,(H,22,23)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302383
PNG
(1-[7-(2-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2...)
Show SMILES COc1ccccc1Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C20H22N4O3/c1-13-11-21-18-17(13)14(20(25)24-7-9-27-10-8-24)12-22-19(18)23-15-5-3-4-6-16(15)26-2/h3-6,11-12,21H,7-10H2,1-2H3,(H,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/an/an/a 6.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302378
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCCC3)c12
Show InChI InChI=1S/C20H21ClN4O/c1-13-11-22-18-17(13)16(20(26)25-8-3-2-4-9-25)12-23-19(18)24-15-7-5-6-14(21)10-15/h5-7,10-12,22H,2-4,8-9H2,1H3,(H,23,24)
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n/an/an/an/a 4.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302386
PNG
(1-[7-(3-Isopropyl-phenylamino)-3-methyl-1H-pyrrolo...)
Show SMILES CC(C)Oc1ccccc1Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C22H26N4O3/c1-14(2)29-18-7-5-4-6-17(18)25-21-20-19(15(3)12-23-20)16(13-24-21)22(27)26-8-10-28-11-9-26/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50211843
PNG
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)
Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302374
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NC3CCOCC3)c12
Show InChI InChI=1S/C20H21ClN4O2/c1-12-10-22-18-17(12)16(20(26)25-14-5-7-27-8-6-14)11-23-19(18)24-15-4-2-3-13(21)9-15/h2-4,9-11,14,22H,5-8H2,1H3,(H,23,24)(H,25,26)
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n/an/an/an/a 1.71E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302380
PNG
(1-[7-(3-Bromo-phenylamino)-3-methyl-1H-pyrrolo[2,3...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Br)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19BrN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/an/an/a 11n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302387
PNG
(1-[7-(3-Trifluoromethyl-phenylamino)-3-methyl-1H-p...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(c3)C(F)(F)F)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H19F3N4O2/c1-12-10-24-17-16(12)15(19(28)27-5-7-29-8-6-27)11-25-18(17)26-14-4-2-3-13(9-14)20(21,22)23/h2-4,9-11,24H,5-8H2,1H3,(H,25,26)
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n/an/an/an/a 15n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302380
PNG
(1-[7-(3-Bromo-phenylamino)-3-methyl-1H-pyrrolo[2,3...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Br)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19BrN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/an/an/a 6.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302387
PNG
(1-[7-(3-Trifluoromethyl-phenylamino)-3-methyl-1H-p...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(c3)C(F)(F)F)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H19F3N4O2/c1-12-10-24-17-16(12)15(19(28)27-5-7-29-8-6-27)11-25-18(17)26-14-4-2-3-13(9-14)20(21,22)23/h2-4,9-11,24H,5-8H2,1H3,(H,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302373
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCC3CCOCC3)c12
Show InChI InChI=1S/C21H23ClN4O2/c1-13-10-23-19-18(13)17(21(27)25-11-14-5-7-28-8-6-14)12-24-20(19)26-16-4-2-3-15(22)9-16/h2-4,9-10,12,14,23H,5-8,11H2,1H3,(H,24,26)(H,25,27)
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n/an/an/an/a 265n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302381
PNG
(1-[3-Methyl-7-(tetrahydro-pyran-4-ylamino)-1H-pyrr...)
Show SMILES Cc1c[nH]c2c(NC3CCOCC3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C18H24N4O3/c1-12-10-19-16-15(12)14(18(23)22-4-8-25-9-5-22)11-20-17(16)21-13-2-6-24-7-3-13/h10-11,13,19H,2-9H2,1H3,(H,20,21)
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n/an/an/an/a 3.30E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302384
PNG
(1-[7-(3-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2...)
Show SMILES COc1cccc(Nc2ncc(C(=O)N3CCOCC3)c3c(C)c[nH]c23)c1
Show InChI InChI=1S/C20H22N4O3/c1-13-11-21-18-17(13)16(20(25)24-6-8-27-9-7-24)12-22-19(18)23-14-4-3-5-15(10-14)26-2/h3-5,10-12,21H,6-9H2,1-2H3,(H,22,23)
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n/an/an/an/a 48n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302385
PNG
(1-[7-(2-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3ccccc3Cl)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)13(19(25)24-6-8-26-9-7-24)11-22-18(17)23-15-5-3-2-4-14(15)20/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)
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n/an/an/an/a 123n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302382
PNG
(CHEMBL578371 | N-3-pentyl-4-(4-morpholinylcarbonyl...)
Show SMILES CCC(CC)Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C18H26N4O2/c1-4-13(5-2)21-17-16-15(12(3)10-19-16)14(11-20-17)18(23)22-6-8-24-9-7-22/h10-11,13,19H,4-9H2,1-3H3,(H,20,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302384
PNG
(1-[7-(3-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2...)
Show SMILES COc1cccc(Nc2ncc(C(=O)N3CCOCC3)c3c(C)c[nH]c23)c1
Show InChI InChI=1S/C20H22N4O3/c1-13-11-21-18-17(13)16(20(25)24-6-8-27-9-7-24)12-22-19(18)23-14-4-3-5-15(10-14)26-2/h3-5,10-12,21H,6-9H2,1-2H3,(H,22,23)
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n/an/an/an/a 2.51E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302377
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c12
Show InChI InChI=1S/C19H19ClN4O/c1-12-10-21-17-16(12)15(19(25)24-7-2-3-8-24)11-22-18(17)23-14-6-4-5-13(20)9-14/h4-6,9-11,21H,2-3,7-8H2,1H3,(H,22,23)
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n/an/an/an/a 153n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302382
PNG
(CHEMBL578371 | N-3-pentyl-4-(4-morpholinylcarbonyl...)
Show SMILES CCC(CC)Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C18H26N4O2/c1-4-13(5-2)21-17-16-15(12(3)10-19-16)14(11-20-17)18(23)22-6-8-24-9-7-22/h10-11,13,19H,4-9H2,1-3H3,(H,20,21)
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n/an/an/an/a 4.67E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302383
PNG
(1-[7-(2-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2...)
Show SMILES COc1ccccc1Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C20H22N4O3/c1-13-11-21-18-17(13)14(20(25)24-7-9-27-10-8-24)12-22-19(18)23-15-5-3-4-6-16(15)26-2/h3-6,11-12,21H,7-10H2,1-2H3,(H,22,23)
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n/an/an/an/a 349n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302386
PNG
(1-[7-(3-Isopropyl-phenylamino)-3-methyl-1H-pyrrolo...)
Show SMILES CC(C)Oc1ccccc1Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12
Show InChI InChI=1S/C22H26N4O3/c1-14(2)29-18-7-5-4-6-17(18)25-21-20-19(15(3)12-23-20)16(13-24-21)22(27)26-8-10-28-11-9-26/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,25)
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n/an/an/an/a 188n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302373
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCC3CCOCC3)c12
Show InChI InChI=1S/C21H23ClN4O2/c1-13-10-23-19-18(13)17(21(27)25-11-14-5-7-28-8-6-14)12-24-20(19)26-16-4-2-3-15(22)9-16/h2-4,9-10,12,14,23H,5-8,11H2,1H3,(H,24,26)(H,25,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302381
PNG
(1-[3-Methyl-7-(tetrahydro-pyran-4-ylamino)-1H-pyrr...)
Show SMILES Cc1c[nH]c2c(NC3CCOCC3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C18H24N4O3/c1-12-10-19-16-15(12)14(18(23)22-4-8-25-9-5-22)11-20-17(16)21-13-2-6-24-7-3-13/h10-11,13,19H,2-9H2,1H3,(H,20,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302385
PNG
(1-[7-(2-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3ccccc3Cl)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)13(19(25)24-6-8-26-9-7-24)11-22-18(17)23-15-5-3-2-4-14(15)20/h2-5,10-11,21H,6-9H2,1H3,(H,22,23)
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n/an/an/an/a 1.58E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302376
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCC3)c12
Show InChI InChI=1S/C18H17ClN4O/c1-11-9-20-16-15(11)14(18(24)23-6-3-7-23)10-21-17(16)22-13-5-2-4-12(19)8-13/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,21,22)
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n/an/an/an/a 504n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302372
PNG
((4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c...)
Show SMILES Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-23-6-5-15-17(23)16(19(25)24-7-9-26-10-8-24)12-21-18(15)22-14-4-2-3-13(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
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n/an/an/an/a 8n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in CHOK1 cells assessed as forskolin-induced cAMP production by luciferase a...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302378
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCCC3)c12
Show InChI InChI=1S/C20H21ClN4O/c1-13-11-22-18-17(13)16(20(26)25-8-3-2-4-9-25)12-23-19(18)24-15-7-5-6-14(21)10-15/h5-7,10-12,22H,2-4,8-9H2,1H3,(H,23,24)
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n/an/an/an/a 14n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302375
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)NCc3ccc(F)cc3)c12
Show InChI InChI=1S/C22H18ClFN4O/c1-13-10-25-20-19(13)18(22(29)27-11-14-5-7-16(24)8-6-14)12-26-21(20)28-17-4-2-3-15(23)9-17/h2-10,12,25H,11H2,1H3,(H,26,28)(H,27,29)
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n/an/an/an/a 145n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302376
PNG
(7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCC3)c12
Show InChI InChI=1S/C18H17ClN4O/c1-11-9-20-16-15(11)14(18(24)23-6-3-7-23)10-21-17(16)22-13-5-2-4-12(19)8-13/h2,4-5,8-10,20H,3,6-7H2,1H3,(H,21,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302388
PNG
(1-[7-(3-Chloro-phenylamino)-1,3-dimethyl-1H-pyrrol...)
Show SMILES Cc1cn(C)c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H21ClN4O2/c1-13-12-24(2)18-17(13)16(20(26)25-6-8-27-9-7-25)11-22-19(18)23-15-5-3-4-14(21)10-15/h3-5,10-12H,6-9H2,1-2H3,(H,22,23)
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n/an/an/an/a 654n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302388
PNG
(1-[7-(3-Chloro-phenylamino)-1,3-dimethyl-1H-pyrrol...)
Show SMILES Cc1cn(C)c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C20H21ClN4O2/c1-13-12-24(2)18-17(13)16(20(26)25-6-8-27-9-7-25)11-22-19(18)23-15-5-3-4-14(21)10-15/h3-5,10-12H,6-9H2,1-2H3,(H,22,23)
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n/an/an/an/a 1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302371
PNG
(1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-21-17-16(12)15(19(25)24-5-7-26-8-6-24)11-22-18(17)23-14-4-2-3-13(20)9-14/h2-4,9-11,21H,5-8H2,1H3,(H,22,23)
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n/an/an/an/a 1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50302379
PNG
(1-Azepan-1-yl-1-[7-(3-chloro-phenylamino)-3-methyl...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCCCC3)c12
Show InChI InChI=1S/C21H23ClN4O/c1-14-12-23-19-18(14)17(21(27)26-9-4-2-3-5-10-26)13-24-20(19)25-16-8-6-7-15(22)11-16/h6-8,11-13,23H,2-5,9-10H2,1H3,(H,24,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB1 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50302379
PNG
(1-Azepan-1-yl-1-[7-(3-chloro-phenylamino)-3-methyl...)
Show SMILES Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCCCC3)c12
Show InChI InChI=1S/C21H23ClN4O/c1-14-12-23-19-18(14)17(21(27)26-9-4-2-3-5-10-26)13-24-20(19)25-16-8-6-7-15(22)11-16/h6-8,11-13,23H,2-5,9-10H2,1H3,(H,24,25)
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n/an/an/an/a 107n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant cannabinoid CB2 receptor expressed in MMY23 Saccharomyces cerevisiae assessed as degradation of FDGlu to fluore...

J Med Chem 52: 5785-8 (2009)


Article DOI: 10.1021/jm9009857
BindingDB Entry DOI: 10.7270/Q20R9PG5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%