Found 2221 hits for monomerid = 8961,17638,21278,21279,21281,21282,21283,21284,21311,20461,20462,22952,22988,24567,26739 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis |
J Med Chem 56: 1098-112 (2013)
Article DOI: 10.1021/jm301527r BindingDB Entry DOI: 10.7270/Q20P11C7 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
NCI pathway Reactome pathway KEGG
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| DrugBank Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis |
ACS Med Chem Lett 4: 387-392 (2013)
Article DOI: 10.1021/ml3004236 BindingDB Entry DOI: 10.7270/Q2MP54MQ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 328-36 (2000)
BindingDB Entry DOI: 10.7270/Q25X27GD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM22988
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | PDB
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| Article PubMed
| 11 | -11.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Universita del Piemonte Orientale
| Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit... |
J Med Chem 52: 3001-9 (2009)
Article DOI: 10.1021/jm900130m BindingDB Entry DOI: 10.7270/Q29G5K4Z |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
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| Article PubMed
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
J Med Chem 53: 295-315 (2010)
Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21278
(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) | PDB
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| Article PubMed
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Binding affinity against Cannabinoid receptor 1 in rat forebrain |
J Med Chem 42: 769-76 (1999)
Article DOI: 10.1021/jm980363y BindingDB Entry DOI: 10.7270/Q2FJ2FZV |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
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| Article PubMed
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system |
Eur J Med Chem 46: 547-55 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
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| Article PubMed
| 11.5 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Abbott Laboratories
| Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 359-68 (2002)
Article DOI: 10.1124/jpet.302.1.359 BindingDB Entry DOI: 10.7270/Q2DZ06VP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universitàadi Roma
| Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1560-76 (2008)
Article DOI: 10.1021/jm070566z BindingDB Entry DOI: 10.7270/Q2GX48V9 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2PC33BG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21278
(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) | PDB
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| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve. |
Citation and Details
|
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane |
Eur J Med Chem 58: 30-43 (2012)
Article DOI: 10.1016/j.ejmech.2012.09.035 BindingDB Entry DOI: 10.7270/Q2JD4XW2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21284
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3 | PDB
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| Article PubMed
| 12 | -11.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Abbott Laboratories
| Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay |
J Med Chem 59: 1052-67 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01559 BindingDB Entry DOI: 10.7270/Q2GB25XB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forbes Norris ALS/MDA Research Center
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-CP-55,940 from the membranes prepared from HEK cell line with wild type Cannabinoid receptor 1 |
J Med Chem 46: 5139-52 (2003)
Article DOI: 10.1021/jm0302647 BindingDB Entry DOI: 10.7270/Q28C9VN5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| DrugBank Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description Evaluated for binding affinity towards human Cannabinoid receptor 1 |
Bioorg Med Chem Lett 14: 1151-4 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.068 BindingDB Entry DOI: 10.7270/Q2MW2GKB |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| DrugBank Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells |
J Med Chem 55: 5391-402 (2012)
Article DOI: 10.1021/jm3003334 BindingDB Entry DOI: 10.7270/Q2K64KCF |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells |
J Med Chem 51: 5075-84 (2008)
Article DOI: 10.1021/jm800552f BindingDB Entry DOI: 10.7270/Q20R9Q9B |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells |
Bioorg Med Chem 17: 5549-64 (2009)
Article DOI: 10.1016/j.bmc.2009.06.027 BindingDB Entry DOI: 10.7270/Q2XK8GHD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21284
(1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...)Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
J Med Chem 53: 295-315 (2010)
Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza Universit£ di Roma
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells |
Eur J Med Chem 45: 5878-86 (2010)
Article DOI: 10.1016/j.ejmech.2010.09.053 BindingDB Entry DOI: 10.7270/Q22Z15T3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells |
J Med Chem 54: 5444-53 (2011)
Article DOI: 10.1021/jm200476p BindingDB Entry DOI: 10.7270/Q2M045S3 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description Binding affinity towards cloned human Cannabinoid receptor 1 |
J Med Chem 43: 2300-9 (2000)
Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting |
J Med Chem 55: 6608-23 (2012)
Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in insect Sf9 cells |
Bioorg Med Chem Lett 21: 1748-53 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.082 BindingDB Entry DOI: 10.7270/Q2HD7WWG |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter |
J Med Chem 55: 7967-77 (2012)
Article DOI: 10.1021/jm3008213 BindingDB Entry DOI: 10.7270/Q2JM2BRJ |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM17638
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB
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| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting |
ACS Med Chem Lett 4: 41-5 (2013)
Article DOI: 10.1021/ml300235q BindingDB Entry DOI: 10.7270/Q2SF2XHW |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis |
Eur J Med Chem 113: 11-27 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.032 BindingDB Entry DOI: 10.7270/Q21J9CPC |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis |
Eur J Med Chem 69: 881-907 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.038 BindingDB Entry DOI: 10.7270/Q20P12Z8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 13.3 | -10.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Abbott Laboratories
| Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c... |
J Med Chem 51: 1904-12 (2008)
Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
J Med Chem 53: 295-315 (2010)
Article DOI: 10.1021/jm901214q BindingDB Entry DOI: 10.7270/Q2KD1Z00 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP 55940 from human CB1 receptor in cell free system |
Eur J Med Chem 46: 547-55 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21282
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3 | PDB
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| Article PubMed
| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description Displacement of [3H]CP 55940 from human CB2 receptor in cell free system |
Eur J Med Chem 46: 547-55 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.034 BindingDB Entry DOI: 10.7270/Q2CF9QCJ |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21282
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3 | PDB
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| Article PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do Rio de Janeiro
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay |
Eur J Med Chem 44: 2482-96 (2009)
Article DOI: 10.1016/j.ejmech.2009.01.026 BindingDB Entry DOI: 10.7270/Q2K64K9J |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human CB1 receptor |
Bioorg Med Chem Lett 17: 4030-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.093 BindingDB Entry DOI: 10.7270/Q2P55N60 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
NCI pathway Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forbes Norris ALS/MDA Research Center
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-CP-55,940 from the membranes prepared from HEK cell line with F3.36 (201)A mutant Cannabinoid receptor 1 |
J Med Chem 46: 5139-52 (2003)
Article DOI: 10.1021/jm0302647 BindingDB Entry DOI: 10.7270/Q28C9VN5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21282
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3 | PDB
Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description Binding affinity towards cloned human cannabinoid receptor 2 |
J Med Chem 43: 2300-9 (2000)
Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 328-36 (2000)
BindingDB Entry DOI: 10.7270/Q25X27GD |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55,940 from Sprague-Dawley rat brain CB1 receptor by scintillation counting analysis |
J Med Chem 56: 1098-112 (2013)
Article DOI: 10.1021/jm301527r BindingDB Entry DOI: 10.7270/Q20P11C7 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21282
(2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-i...)Show InChI InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3 | PDB
Reactome pathway KEGG
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor (unknown origin) |
Cell Chem Biol 56: 8224-56 (2013)
Article DOI: 10.1021/jm4005626 BindingDB Entry DOI: 10.7270/Q2B859M5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Forbes Norris ALS/MDA Research Center
Curated by ChEMBL
| Assay Description Ability of the compound to displace [3H]-CP-55,940 from the membranes prepared from HEK cell line with F3.25 (190)A mutant Cannabinoid receptor 1 |
J Med Chem 46: 5139-52 (2003)
Article DOI: 10.1021/jm0302647 BindingDB Entry DOI: 10.7270/Q28C9VN5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
Reactome pathway KEGG
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PC cid PC sid UniChem
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| Article PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
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| 15.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Ferrara
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting |
J Med Chem 55: 6608-23 (2012)
Article DOI: 10.1021/jm300763w BindingDB Entry DOI: 10.7270/Q2WS8VCX |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(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) | PDB
NCI pathway Reactome pathway KEGG
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 6505-10 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.089 BindingDB Entry DOI: 10.7270/Q2S75H5H |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
Reactome pathway KEGG
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Lille Nord de France
Curated by ChEMBL
| Assay Description Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting |
Bioorg Med Chem 21: 5383-94 (2013)
Article DOI: 10.1016/j.bmc.2013.06.010 BindingDB Entry DOI: 10.7270/Q27S7RQW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Equus caballus (Horse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla
Curated by ChEMBL
| Assay Description Competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot a... |
Eur J Med Chem 138: 761-773 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Equus caballus (Horse)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Sevilla
Curated by ChEMBL
| Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-inhibitor complex using butyrylthiocholine iodide as substrate measured... |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.07.053 BindingDB Entry DOI: 10.7270/Q23R0X60 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |