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Compile Data Set for Download or QSAR

Found 1330 hits with Last Name = 'morera' and Initial = 'e'   
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))
BDBM50377660
PNG
(CHEMBL255904)
Show SMILES CC(C)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H20N4/c1-14(2)13-22-20-18(19-21-22)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
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1.60E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O |r|
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274779
PNG
(CHEMBL458828 | N-Acetyl-glycine-(1S)-1-[[(2S,3S)-3...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC(C)=O |r|
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)20-27-21(3)28)19-24-23(26(30)32-24)18-16-9-7-5-2/h22-24H,4-20H2,1-3H3,(H,27,28)/t22-,23-,24-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274183
PNG
(5-oxo-L-Proline-(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-o...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCC(=O)N1 |r|
Show InChI InChI=1S/C27H47NO5/c1-3-5-7-9-10-11-12-13-14-16-21(32-27(31)23-18-19-25(29)28-23)20-24-22(26(30)33-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,28,29)/t21-,22-,23-,24-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274019
PNG
(CHEMBL516323 | N-Formyl-L-alanine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)21(3)27-20-28)19-24-23(26(30)32-24)18-16-9-7-5-2/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377660
PNG
(CHEMBL255904)
Show SMILES CC(C)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H20N4/c1-14(2)13-22-20-18(19-21-22)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
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4.70E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377661
PNG
(CHEMBL403167)
Show SMILES CC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H16N4O/c1-13(22)12-21-19-17(18-20-21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
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5.20E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274021
PNG
(CHEMBL457232 | N-Formyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C |r|
Show InChI InChI=1S/C28H51NO5/c1-5-7-9-11-12-13-14-15-16-18-23(33-28(32)26(22(3)4)29-21-30)20-25-24(27(31)34-25)19-17-10-8-6-2/h21-26H,5-20H2,1-4H3,(H,29,30)/t23-,24-,25-,26-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274180
PNG
(CHEMBL521157 | N-Formyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC |r|
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377658
PNG
(CHEMBL257157)
Show SMILES N#CCn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C16H13N5/c17-10-11-21-19-16(18-20-21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,11-12H2
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6.20E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274020
PNG
(CHEMBL514886 | N-Formyl-beta-alanine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CCNC=O |r|
Show InChI InChI=1S/C26H47NO5/c1-3-5-7-9-10-11-12-13-14-16-22(31-25(29)18-19-27-21-28)20-24-23(26(30)32-24)17-15-8-6-4-2/h21-24H,3-20H2,1-2H3,(H,27,28)/t22-,23-,24-/m0/s1
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6.40E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O |r|
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377672
PNG
(CHEMBL255903)
Show SMILES CC(C)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-14(2)13-22-18(19-20-21-22)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
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7.70E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377669
PNG
(CHEMBL258164)
Show SMILES COC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-19-16(18-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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8.10E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274056
PNG
(CHEMBL521467 | N-Acetyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C29H53NO5/c1-6-8-10-12-13-14-15-16-17-19-24(34-29(33)27(22(3)4)30-23(5)31)21-26-25(28(32)35-26)20-18-11-9-7-2/h22,24-27H,6-21H2,1-5H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274181
PNG
(CHEMBL484215 | N-Acetyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC(C)=O)C(C)CC |r|
Show InChI InChI=1S/C30H55NO5/c1-6-9-11-13-14-15-16-17-18-20-25(35-30(34)28(23(4)8-3)31-24(5)32)22-27-26(29(33)36-27)21-19-12-10-7-2/h23,25-28H,6-22H2,1-5H3,(H,31,32)/t23?,25-,26-,27-,28-/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377672
PNG
(CHEMBL255903)
Show SMILES CC(C)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-14(2)13-22-18(19-20-21-22)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377661
PNG
(CHEMBL403167)
Show SMILES CC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H16N4O/c1-13(22)12-21-19-17(18-20-21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377670
PNG
(CHEMBL254788)
Show SMILES CN(C)C(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H19N5O/c1-22(2)18(24)13-23-20-17(19-21-23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377673
PNG
(CHEMBL257961)
Show SMILES COC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H17N5O3/c1-26-17(24)12-23-21-16(20-22-23)11-19-18(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377663
PNG
(CHEMBL257548)
Show SMILES COC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5O3/c1-26-17(24)12-23-16(20-21-22-23)11-19-18(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377674
PNG
(CHEMBL257569)
Show SMILES O=C(NCc1nnnn1CC#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c18-10-11-23-16(20-21-22-23)12-19-17(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,11-12H2,(H,19,24)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377665
PNG
(CHEMBL257777)
Show SMILES CC(C)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C19H21N5O/c1-14(2)13-24-22-18(21-23-24)12-20-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377673
PNG
(CHEMBL257961)
Show SMILES COC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H17N5O3/c1-26-17(24)12-23-21-16(20-22-23)11-19-18(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377674
PNG
(CHEMBL257569)
Show SMILES O=C(NCc1nnnn1CC#N)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c18-10-11-23-16(20-21-22-23)12-19-17(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,11-12H2,(H,19,24)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377667
PNG
(CHEMBL257778)
Show SMILES CC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H17N5O2/c1-13(24)12-23-21-17(20-22-23)11-19-18(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377662
PNG
(CHEMBL404541)
Show SMILES CC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13(22)12-21-17(18-19-20-21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377664
PNG
(CHEMBL402283)
Show SMILES O=C(NCc1nnn(CC#N)n1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c18-10-11-23-21-16(20-22-23)12-19-17(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,11-12H2,(H,19,24)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377675
PNG
(CHEMBL404542)
Show SMILES CN(C)C(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-22(2)18(24)13-23-17(19-20-21-23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377675
PNG
(CHEMBL404542)
Show SMILES CN(C)C(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-22(2)18(24)13-23-17(19-20-21-23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377662
PNG
(CHEMBL404541)
Show SMILES CC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O/c1-13(22)12-21-17(18-19-20-21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377670
PNG
(CHEMBL254788)
Show SMILES CN(C)C(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H19N5O/c1-22(2)18(24)13-23-20-17(19-21-23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377666
PNG
(CHEMBL257570)
Show SMILES CC(C)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-14(2)13-24-18(21-22-23-24)12-20-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377667
PNG
(CHEMBL257778)
Show SMILES CC(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C18H17N5O2/c1-13(24)12-23-21-17(20-22-23)11-19-18(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377671
PNG
(CHEMBL403221)
Show SMILES CC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5O2/c1-13(24)12-23-17(20-21-22-23)11-19-18(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,25)
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Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377668
PNG
(CHEMBL258162)
Show SMILES CN(C)C(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C19H20N6O2/c1-24(2)18(26)13-25-22-17(21-23-25)12-20-19(27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377657
PNG
(CHEMBL258163)
Show SMILES COC(=O)Cn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-16(18-19-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50377659
PNG
(CHEMBL404652)
Show SMILES N#CCn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13N5/c17-10-11-21-16(18-19-20-21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,11-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377659
PNG
(CHEMBL404652)
Show SMILES N#CCn1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H13N5/c17-10-11-21-16(18-19-20-21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,11-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377658
PNG
(CHEMBL257157)
Show SMILES N#CCn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C16H13N5/c17-10-11-21-19-16(18-20-21)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9H,11-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377669
PNG
(CHEMBL258164)
Show SMILES COC(=O)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C17H16N4O2/c1-23-17(22)12-21-19-16(18-20-21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377668
PNG
(CHEMBL258162)
Show SMILES CN(C)C(=O)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C19H20N6O2/c1-24(2)18(26)13-25-22-17(21-23-25)12-20-19(27)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,20,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377671
PNG
(CHEMBL403221)
Show SMILES CC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5O2/c1-13(24)12-23-17(20-21-22-23)11-19-18(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377666
PNG
(CHEMBL257570)
Show SMILES CC(C)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c1-14(2)13-24-18(21-22-23-24)12-20-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377665
PNG
(CHEMBL257777)
Show SMILES CC(C)Cn1nnc(CNC(=O)c2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C19H21N5O/c1-14(2)13-24-22-18(21-23-24)12-20-19(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377664
PNG
(CHEMBL402283)
Show SMILES O=C(NCc1nnn(CC#N)n1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H14N6O/c18-10-11-23-21-16(20-22-23)12-19-17(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,11-12H2,(H,19,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50377663
PNG
(CHEMBL257548)
Show SMILES COC(=O)Cn1nnnc1CNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17N5O3/c1-26-17(24)12-23-16(20-21-22-23)11-19-18(25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in COS cells


Bioorg Med Chem Lett 18: 2820-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.003
BindingDB Entry DOI: 10.7270/Q22808H1
More data for this
Ligand-Target Pair
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