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PubMed code 20718492

Compile data set for download or QSAR
Found 74 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324652
PNG
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324635
PNG
(4-Oxo-1-pentyl-6-thiophen-2-yl-1,4-dihydro-quinoli...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cccs1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O2S/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324663
PNG
(6-(furan-2-yl)-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2[C@]3(C)CC[C@@H](C3)C2(C)C)c(=O)c2cc(ccc12)-c1ccco1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-5-6-7-14-31-18-22(26(33)30-27-28(2,3)20-12-13-29(27,4)17-20)25(32)21-16-19(10-11-23(21)31)24-9-8-15-34-24/h8-11,15-16,18,20,27H,5-7,12-14,17H2,1-4H3,(H,30,33)/t20-,27-,29+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324658
PNG
(6-bromo-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimeth...)
Show SMILES CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H33BrN2O2/c1-5-6-7-12-28-15-19(21(29)18-13-17(26)8-9-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16-,23-,25+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324636
PNG
(6-(4-Hydroxy-phenyl)-4-oxo-1-pentyl-1,4-dihydro-qu...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(O)cc1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H36N2O3/c1-2-3-4-11-33-19-27(30(36)32-31-16-20-12-21(17-31)14-22(13-20)18-31)29(35)26-15-24(7-10-28(26)33)23-5-8-25(34)9-6-23/h5-10,15,19-22,34H,2-4,11-14,16-18H2,1H3,(H,32,36)
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324662
PNG
(1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinol...)
Show SMILES C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
Show InChI InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32)
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4.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324658
PNG
(6-bromo-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimeth...)
Show SMILES CCCCCn1cc(C(=O)N[C@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2cc(Br)ccc12 |r|
Show InChI InChI=1S/C25H33BrN2O2/c1-5-6-7-12-28-15-19(21(29)18-13-17(26)8-9-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16-,23-,25+/m0/s1
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272388
PNG
(6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324654
PNG
(6-Cyclohexyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1CCCCC1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C31H42N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h10-11,16,20-24H,2-9,12-15,17-19H2,1H3,(H,32,35)
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7.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324637
PNG
(6-Cyclohex-1-enyl-4-oxo-1-pentyl-1,4-dihydro-quino...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1=CCCCC1 |t:34,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H40N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h8,10-11,16,20-23H,2-7,9,12-15,17-19H2,1H3,(H,32,35)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324650
PNG
(CHEMBL1215888 | N-(Adamantan-1-yl)-6-ethynyl-4-oxo...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#C |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H32N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h2,7-8,13,17,19-21H,3,5-6,9-12,14-16H2,1H3,(H,28,31)
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8.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324638
PNG
(6-(4-Chloro-phenyl)-4-oxo-1-pentyl-1,4-dihydro-qui...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(Cl)cc1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H35ClN2O2/c1-2-3-4-11-34-19-27(30(36)33-31-16-20-12-21(17-31)14-22(13-20)18-31)29(35)26-15-24(7-10-28(26)34)23-5-8-25(32)9-6-23/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,33,36)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
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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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324639
PNG
(6-(2,4-Difluoro-phenyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(F)cc1F |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H34F2N2O2/c1-2-3-4-9-35-18-26(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)25-13-22(5-8-28(25)35)24-7-6-23(32)14-27(24)33/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324655
PNG
(CHEMBL1215976 | N-(Adamantan-1-yl)-6-ethyl-4-oxo-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H36N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h7-8,13,17,19-21H,3-6,9-12,14-16H2,1-2H3,(H,28,31)
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16.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324630
PNG
(6-Iodo-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carb...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(I)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C25H31IN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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20.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324644
PNG
(6-(4-Methoxy-3,5-dimethyl-phenyl)-4-oxo-1-pentyl-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cc(C)c(OC)c(C)c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C34H42N2O3/c1-5-6-7-10-36-20-29(33(38)35-34-17-23-13-24(18-34)15-25(14-23)19-34)31(37)28-16-26(8-9-30(28)36)27-11-21(2)32(39-4)22(3)12-27/h8-9,11-12,16,20,23-25H,5-7,10,13-15,17-19H2,1-4H3,(H,35,38)
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21.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324652
PNG
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34)
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29.7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324643
PNG
(6-(4-Cyano-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quin...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(cc1)C#N |TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C32H35N3O2/c1-2-3-4-11-35-20-28(31(37)34-32-16-22-12-23(17-32)14-24(13-22)18-32)30(36)27-15-26(9-10-29(27)35)25-7-5-21(19-33)6-8-25/h5-10,15,20,22-24H,2-4,11-14,16-18H2,1H3,(H,34,37)
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41.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324640
PNG
(6-(5-Chloro-thiophen-2-yl)-4-oxo-1-pentyl-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(Cl)s1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H33ClN2O2S/c1-2-3-4-9-32-17-23(28(34)31-29-14-18-10-19(15-29)12-20(11-18)16-29)27(33)22-13-21(5-6-24(22)32)25-7-8-26(30)35-25/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,31,34)
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44.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324657
PNG
(6-Bromo-4-oxo-1-prop-2-ynyl-1,4-dihydro-quinoline-...)
Show SMILES Brc1ccc2n(CC#C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:21:16:23:20.22.19,21:20:23:16.15.17,17:18:22:16.15.21,THB:17:16:22:18.23.19|
Show InChI InChI=1S/C23H23BrN2O2/c1-2-5-26-13-19(21(27)18-9-17(24)3-4-20(18)26)22(28)25-23-10-14-6-15(11-23)8-16(7-14)12-23/h1,3-4,9,13-16H,5-8,10-12H2,(H,25,28)
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49.8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324646
PNG
(6-(1-Isobutyl-1H-pyrazol-4-yl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cnn(CC(C)C)c1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C32H42N4O2/c1-4-5-6-9-35-20-28(31(38)34-32-14-22-10-23(15-32)12-24(11-22)16-32)30(37)27-13-25(7-8-29(27)35)26-17-33-36(19-26)18-21(2)3/h7-8,13,17,19-24H,4-6,9-12,14-16,18H2,1-3H3,(H,34,38)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324645
PNG
(6-(6-Methoxy-naphthalen-2-yl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc2cc(OC)ccc2c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C36H40N2O3/c1-3-4-5-12-38-22-32(35(40)37-36-19-23-13-24(20-36)15-25(14-23)21-36)34(39)31-18-29(9-11-33(31)38)26-6-7-28-17-30(41-2)10-8-27(28)16-26/h6-11,16-18,22-25H,3-5,12-15,19-21H2,1-2H3,(H,37,40)
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52.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324656
PNG
(6-(2-Ethyl-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quin...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CCc3ccccc3)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H40N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,10-11,14-17,19-21H2,1H3,(H,34,37)
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56.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324661
PNG
(1-Allyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinoline-3...)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:12:13:17:11.10.16,THB:12:11:17:13.18.14,14:13:10:15.17.16,14:15:10:13.18.12|
Show InChI InChI=1S/C27H28N2O3/c1-2-7-29-16-22(25(30)21-12-20(5-6-23(21)29)24-4-3-8-32-24)26(31)28-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,28,31)
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324641
PNG
(6-(6-Methoxy-pyridin-3-yl)-4-oxo-1-pentyl-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(OC)nc1 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H37N3O3/c1-3-4-5-10-34-19-26(30(36)33-31-15-20-11-21(16-31)13-22(12-20)17-31)29(35)25-14-23(6-8-27(25)34)24-7-9-28(37-2)32-18-24/h6-9,14,18-22H,3-5,10-13,15-17H2,1-2H3,(H,33,36)
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59.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324651
PNG
((E)-N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-styryl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccccc3)ccc12 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H38N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)/b11-10+
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65.4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324633
PNG
(CHEMBL1215943 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)S(=O)(=O)c1ccccc1 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H36N2O4S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)38(36,37)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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65.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324647
PNG
(6-((E)-3,3-Dimethyl-but-1-enyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\C(C)(C)C)ccc12 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H42N2O2/c1-5-6-7-12-33-20-26(28(34)25-16-21(8-9-27(25)33)10-11-30(2,3)4)29(35)32-31-17-22-13-23(18-31)15-24(14-22)19-31/h8-11,16,20,22-24H,5-7,12-15,17-19H2,1-4H3,(H,32,35)/b11-10+
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71.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324632
PNG
(CHEMBL1215953 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)S(=O)c1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H36N2O3S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)37(36)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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73.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324642
PNG
(6-(3,5-Dimethyl-isoxazol-4-yl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1c(C)noc1C |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C30H37N3O3/c1-4-5-6-9-33-17-25(29(35)31-30-14-20-10-21(15-30)12-22(11-20)16-30)28(34)24-13-23(7-8-26(24)33)27-18(2)32-36-19(27)3/h7-8,13,17,20-22H,4-6,9-12,14-16H2,1-3H3,(H,31,35)
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126n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324648
PNG
(6-Biphenyl-4-yl-4-oxo-1-pentyl-1,4-dihydro-quinoli...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(cc1)-c1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C37H40N2O2/c1-2-3-7-16-39-24-33(36(41)38-37-21-25-17-26(22-37)19-27(18-25)23-37)35(40)32-20-31(14-15-34(32)39)30-12-10-29(11-13-30)28-8-5-4-6-9-28/h4-6,8-15,20,24-27H,2-3,7,16-19,21-23H2,1H3,(H,38,41)
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181n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324646
PNG
(6-(1-Isobutyl-1H-pyrazol-4-yl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cnn(CC(C)C)c1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C32H42N4O2/c1-4-5-6-9-35-20-28(31(38)34-32-14-22-10-23(15-32)12-24(11-22)16-32)30(37)27-13-25(7-8-29(27)35)26-17-33-36(19-26)18-21(2)3/h7-8,13,17,19-24H,4-6,9-12,14-16,18H2,1-3H3,(H,34,38)
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246n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324649
PNG
(CHEMBL1215889 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#Cc1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H36N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)
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343n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324645
PNG
(6-(6-Methoxy-naphthalen-2-yl)-4-oxo-1-pentyl-1,4-d...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc2cc(OC)ccc2c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C36H40N2O3/c1-3-4-5-12-38-22-32(35(40)37-36-19-23-13-24(20-36)15-25(14-23)21-36)34(39)31-18-29(9-11-33(31)38)26-6-7-28-17-30(41-2)10-8-27(28)16-26/h6-11,16-18,22-25H,3-5,12-15,19-21H2,1-2H3,(H,37,40)
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360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324659
PNG
(6-Bromo-4-oxo-1-pentyl-N-(piperidin-1-yl)-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C20H26BrN3O2/c1-2-3-5-10-23-14-17(20(26)22-24-11-6-4-7-12-24)19(25)16-13-15(21)8-9-18(16)23/h8-9,13-14H,2-7,10-12H2,1H3,(H,22,26)
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324632
PNG
(CHEMBL1215953 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)S(=O)c1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H36N2O3S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)37(36)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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460n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324663
PNG
(6-(furan-2-yl)-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-...)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2[C@]3(C)CC[C@@H](C3)C2(C)C)c(=O)c2cc(ccc12)-c1ccco1 |r|
Show InChI InChI=1S/C29H36N2O3/c1-5-6-7-14-31-18-22(26(33)30-27-28(2,3)20-12-13-29(27,4)17-20)25(32)21-16-19(10-11-23(21)31)24-9-8-15-34-24/h8-11,15-16,18,20,27H,5-7,12-14,17H2,1-4H3,(H,30,33)/t20-,27-,29+/m0/s1
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324644
PNG
(6-(4-Methoxy-3,5-dimethyl-phenyl)-4-oxo-1-pentyl-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cc(C)c(OC)c(C)c1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C34H42N2O3/c1-5-6-7-10-36-20-29(33(38)35-34-17-23-13-24(18-34)15-25(14-23)19-34)31(37)28-16-26(8-9-30(28)36)27-11-21(2)32(39-4)22(3)12-27/h8-9,11-12,16,20,23-25H,5-7,10,13-15,17-19H2,1-4H3,(H,35,38)
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510n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324660
PNG
(6-Bromo-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-car...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C21H27BrN2O2/c1-2-3-7-12-24-14-18(21(26)23-16-8-5-4-6-9-16)20(25)17-13-15(22)10-11-19(17)24/h10-11,13-14,16H,2-9,12H2,1H3,(H,23,26)
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324655
PNG
(CHEMBL1215976 | N-(Adamantan-1-yl)-6-ethyl-4-oxo-1...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H36N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h7-8,13,17,19-21H,3-6,9-12,14-16H2,1-2H3,(H,28,31)
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272388
PNG
(6-Isopropyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C(C)C |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
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1.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324660
PNG
(6-Bromo-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-car...)
Show SMILES CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C21H27BrN2O2/c1-2-3-7-12-24-14-18(21(26)23-16-8-5-4-6-9-16)20(25)17-13-15(22)10-11-19(17)24/h10-11,13-14,16H,2-9,12H2,1H3,(H,23,26)
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324659
PNG
(6-Bromo-4-oxo-1-pentyl-N-(piperidin-1-yl)-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2cc(Br)ccc12
Show InChI InChI=1S/C20H26BrN3O2/c1-2-3-5-10-23-14-17(20(26)22-24-11-6-4-7-12-24)19(25)16-13-15(21)8-9-18(16)23/h8-9,13-14H,2-7,10-12H2,1H3,(H,22,26)
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324630
PNG
(6-Iodo-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carb...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(I)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C25H31IN2O2/c1-2-3-4-7-28-15-21(23(29)20-11-19(26)5-6-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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2.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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>2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324657
PNG
(6-Bromo-4-oxo-1-prop-2-ynyl-1,4-dihydro-quinoline-...)
Show SMILES Brc1ccc2n(CC#C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1 |TLB:21:16:23:20.22.19,21:20:23:16.15.17,17:18:22:16.15.21,THB:17:16:22:18.23.19|
Show InChI InChI=1S/C23H23BrN2O2/c1-2-5-26-13-19(21(27)18-9-17(24)3-4-20(18)26)22(28)25-23-10-14-6-15(11-23)8-16(7-14)12-23/h1,3-4,9,13-16H,5-8,10-12H2,(H,25,28)
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3.21E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324631
PNG
(6-(2,4-Dichloro-benzyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C32H36Cl2N2O2/c1-2-3-4-9-36-19-27(31(38)35-32-16-21-10-22(17-32)12-23(11-21)18-32)30(37)26-14-20(5-8-29(26)36)13-24-6-7-25(33)15-28(24)34/h5-8,14-15,19,21-23H,2-4,9-13,16-18H2,1H3,(H,35,38)
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3.88E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324648
PNG
(6-Biphenyl-4-yl-4-oxo-1-pentyl-1,4-dihydro-quinoli...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(cc1)-c1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C37H40N2O2/c1-2-3-7-16-39-24-33(36(41)38-37-21-25-17-26(22-37)19-27(18-25)23-37)35(40)32-20-31(14-15-34(32)39)30-12-10-29(11-13-30)28-8-5-4-6-9-28/h4-6,8-15,20,24-27H,2-3,7,16-19,21-23H2,1H3,(H,38,41)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324649
PNG
(CHEMBL1215889 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#Cc1ccccc1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H36N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324650
PNG
(CHEMBL1215888 | N-(Adamantan-1-yl)-6-ethynyl-4-oxo...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C#C |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C27H32N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h2,7-8,13,17,19-21H,3,5-6,9-12,14-16H2,1H3,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324633
PNG
(CHEMBL1215943 | N-(Adamantan-1-yl)-4-oxo-1-pentyl-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)S(=O)(=O)c1ccccc1 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H36N2O4S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)38(36,37)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324635
PNG
(4-Oxo-1-pentyl-6-thiophen-2-yl-1,4-dihydro-quinoli...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cccs1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O2S/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324631
PNG
(6-(2,4-Dichloro-benzyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C32H36Cl2N2O2/c1-2-3-4-9-36-19-27(31(38)35-32-16-21-10-22(17-32)12-23(11-21)18-32)30(37)26-14-20(5-8-29(26)36)13-24-6-7-25(33)15-28(24)34/h5-8,14-15,19,21-23H,2-4,9-13,16-18H2,1H3,(H,35,38)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324636
PNG
(6-(4-Hydroxy-phenyl)-4-oxo-1-pentyl-1,4-dihydro-qu...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(O)cc1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H36N2O3/c1-2-3-4-11-33-19-27(30(36)32-31-16-20-12-21(17-31)14-22(13-20)18-31)29(35)26-15-24(7-10-28(26)33)23-5-8-25(34)9-6-23/h5-10,15,19-22,34H,2-4,11-14,16-18H2,1H3,(H,32,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324638
PNG
(6-(4-Chloro-phenyl)-4-oxo-1-pentyl-1,4-dihydro-qui...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(Cl)cc1 |TLB:18:17:20:13.12.14,18:13:20:17.19.16,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H35ClN2O2/c1-2-3-4-11-34-19-27(30(36)33-31-16-20-12-21(17-31)14-22(13-20)18-31)29(35)26-15-24(7-10-28(26)34)23-5-8-25(32)9-6-23/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,33,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324642
PNG
(6-(3,5-Dimethyl-isoxazol-4-yl)-4-oxo-1-pentyl-1,4-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1c(C)noc1C |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C30H37N3O3/c1-4-5-6-9-33-17-25(29(35)31-30-14-20-10-21(15-30)12-22(11-20)16-30)28(34)24-13-23(7-8-26(24)33)27-18(2)32-36-19(27)3/h7-8,13,17,20-22H,4-6,9-12,14-16H2,1-3H3,(H,31,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324651
PNG
((E)-N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-styryl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccccc3)ccc12 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,14:15:19:13.12.18,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H38N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-13,18,22,25-27H,2-3,7,14-17,19-21H2,1H3,(H,34,37)/b11-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324661
PNG
(1-Allyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinoline-3...)
Show SMILES C=CCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:12:13:17:11.10.16,THB:12:11:17:13.18.14,14:13:10:15.17.16,14:15:10:13.18.12|
Show InChI InChI=1S/C27H28N2O3/c1-2-7-29-16-22(25(30)21-12-20(5-6-23(21)29)24-4-3-8-32-24)26(31)28-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,16-19H,1,7,9-11,13-15H2,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324654
PNG
(6-Cyclohexyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1CCCCC1 |TLB:18:13:20:17.19.16,18:17:20:13.12.14,THB:16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C31H42N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h10-11,16,20-24H,2-9,12-15,17-19H2,1H3,(H,32,35)
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324656
PNG
(6-(2-Ethyl-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quin...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CCc3ccccc3)ccc12 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C33H40N2O2/c1-2-3-7-14-35-22-29(32(37)34-33-19-25-15-26(20-33)17-27(16-25)21-33)31(36)28-18-24(12-13-30(28)35)11-10-23-8-5-4-6-9-23/h4-6,8-9,12-13,18,22,25-27H,2-3,7,10-11,14-17,19-21H2,1H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324641
PNG
(6-(6-Methoxy-pyridin-3-yl)-4-oxo-1-pentyl-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(OC)nc1 |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H37N3O3/c1-3-4-5-10-34-19-26(30(36)33-31-15-20-11-21(16-31)13-22(12-20)17-31)29(35)25-14-23(6-8-27(25)34)24-7-9-28(37-2)32-18-24/h6-9,14,18-22H,3-5,10-13,15-17H2,1-2H3,(H,33,36)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324653
PNG
(CHEMBL1215963 | N-(Adamantan-1-yl)-6-(1H-imidazol-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1ccnc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C28H34N4O2/c1-2-3-4-8-31-17-24(26(33)23-13-22(5-6-25(23)31)32-9-7-29-18-32)27(34)30-28-14-19-10-20(15-28)12-21(11-19)16-28/h5-7,9,13,17-21H,2-4,8,10-12,14-16H2,1H3,(H,30,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324637
PNG
(6-Cyclohex-1-enyl-4-oxo-1-pentyl-1,4-dihydro-quino...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)C1=CCCCC1 |t:34,TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H40N2O2/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-16-25(10-11-28(26)33)24-8-5-4-6-9-24/h8,10-11,16,20-23H,2-7,9,12-15,17-19H2,1H3,(H,32,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324639
PNG
(6-(2,4-Difluoro-phenyl)-4-oxo-1-pentyl-1,4-dihydro...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(F)cc1F |TLB:14:15:19:13.12.18,18:13:20:17.19.16,18:17:20:13.12.14,THB:14:13:19:15.20.16|
Show InChI InChI=1S/C31H34F2N2O2/c1-2-3-4-9-35-18-26(30(37)34-31-15-19-10-20(16-31)12-21(11-19)17-31)29(36)25-13-22(5-8-28(25)35)24-7-6-23(32)14-27(24)33/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324640
PNG
(6-(5-Chloro-thiophen-2-yl)-4-oxo-1-pentyl-1,4-dihy...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(Cl)s1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H33ClN2O2S/c1-2-3-4-9-32-17-23(28(34)31-29-14-18-10-19(15-29)12-20(11-18)16-29)27(33)22-13-21(5-6-24(22)32)25-7-8-26(30)35-25/h5-8,13,17-20H,2-4,9-12,14-16H2,1H3,(H,31,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324643
PNG
(6-(4-Cyano-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quin...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(cc1)C#N |TLB:18:17:20:13.12.14,18:13:20:17.19.16,THB:16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C32H35N3O2/c1-2-3-4-11-35-20-28(31(37)34-32-16-22-12-23(17-32)14-24(13-22)18-32)30(36)27-15-26(9-10-29(27)35)25-7-5-21(19-33)6-8-25/h5-10,15,20,22-24H,2-4,11-14,16-18H2,1H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324647
PNG
(6-((E)-3,3-Dimethyl-but-1-enyl)-4-oxo-1-pentyl-1,4...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\C(C)(C)C)ccc12 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C31H42N2O2/c1-5-6-7-12-33-20-26(28(34)25-16-21(8-9-27(25)33)10-11-30(2,3)4)29(35)32-31-17-22-13-23(18-31)15-24(14-22)19-31/h8-11,16,20,22-24H,5-7,12-15,17-19H2,1-4H3,(H,32,35)/b11-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50324662
PNG
(1-But-3-enyl-6-furan-2-yl-4-oxo-1,4-dihydro-quinol...)
Show SMILES C=CCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:13:14:18:12.11.17,THB:13:12:18:14.19.15,15:14:11:16.18.17,15:16:11:14.19.13|
Show InChI InChI=1S/C28H30N2O3/c1-2-3-8-30-17-23(26(31)22-13-21(6-7-24(22)30)25-5-4-9-33-25)27(32)29-28-14-18-10-19(15-28)12-20(11-18)16-28/h2,4-7,9,13,17-20H,1,3,8,10-12,14-16H2,(H,29,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%