Found 930 hits with Last Name = 'gertsch' and Initial = 'j' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 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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| PDB Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Eur J Med Chem 85: 77-86 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.062 BindingDB Entry DOI: 10.7270/Q2NS0WKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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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| 0.450 | -54.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.
| Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5... |
ACS Chem Biol 9: 1499-507 (2014)
Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
| Assay Description Binding assay with hCB1 and hCB2 receptors. |
Chem Biol 18: 1053-64 (2011)
Article DOI: 10.1016/j.chembiol.2011.05.012 BindingDB Entry DOI: 10.7270/Q27W69PQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Eur J Med Chem 85: 77-86 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.062 BindingDB Entry DOI: 10.7270/Q2NS0WKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 0.797 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 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 2
(Homo sapiens (Human)) | BDBM50228072
(1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21 Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3 | PDB
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| Article PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
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| PDB Article PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
| Assay Description Binding assay with hCB1 and hCB2 receptors. |
Chem Biol 18: 1053-64 (2011)
Article DOI: 10.1016/j.chembiol.2011.05.012 BindingDB Entry DOI: 10.7270/Q27W69PQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50072775
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1 | PDB
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| PDB Article PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB2 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Eur J Med Chem 85: 77-86 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.062 BindingDB Entry DOI: 10.7270/Q2NS0WKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265650
(2-(N-(2,5-dimethoxyphenyl)-4-methylphenylsulfonami...)Show SMILES COc1ccc(OC)c(c1)N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27) | PDB
Reactome pathway KEGG
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| Article PubMed
| 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50605682
(CHEMBL5176915)Show SMILES Oc1ccc(F)c(c1)C(=O)N1CCC(Cc2cccc(Oc3cc(ccn3)C(F)(F)F)c2)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01806 BindingDB Entry DOI: 10.7270/Q2Q81J4P |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556532
(CHEMBL4753891)Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556542
(CHEMBL4780771)Show SMILES Cc1nc(OCc2ccc(F)cc2)c(cc1Br)C(=O)NC1CCCCCC1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
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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| PDB Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265648
(8-hexyl-3,5,5-trimethyl-2,3,4,5-tetrahydro-1H-chro...)Show SMILES CCCCCCc1cc(O)c2C3=C(CN(C)CC3)C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3 | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 2
(Homo sapiens (Human)) | BDBM50265687
(CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...)Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30) | PDB
Reactome pathway KEGG
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| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 2
(Homo sapiens (Human)) | BDBM50180022
(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) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.10 | 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]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr |
J Med Chem 55: 9973-87 (2012)
Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50408224
(CHEMBL4164954)Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1 Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
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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Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Eur J Med Chem 85: 77-86 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.062 BindingDB Entry DOI: 10.7270/Q2NS0WKT |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556532
(CHEMBL4753891)Show SMILES Cc1c(Br)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 3.40 | 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 2
(Homo sapiens (Human)) | BDBM50408224
(CHEMBL4164954)Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1 Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556533
(CHEMBL4781952)Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556533
(CHEMBL4781952)Show SMILES Cc1c(Cl)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556531
(CHEMBL4779298) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556534
(CHEMBL4760014)Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50055571
(CHEMBL3329945)Show SMILES CCCCCc1cc(O)c2C3=C(CC[C@H](C)C3)C(C)(C)Oc2c1 |r,t:10| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,22H,5-11H2,1-4H3/t14-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Perugia
Curated by ChEMBL
| Assay Description Displacement of [3H]CP55940 from human cannabinoid CB1 receptor expressed in CHO-K1 cells by liquid scintillation counting |
Eur J Med Chem 85: 77-86 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.062 BindingDB Entry DOI: 10.7270/Q2NS0WKT |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50157304
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.60 | 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]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs |
Eur J Med Chem 116: 252-266 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.072 BindingDB Entry DOI: 10.7270/Q2DJ5HHP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556534
(CHEMBL4760014)Show SMILES Cc1c(F)cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50556535
(CHEMBL4782654)Show SMILES Cc1c(cc(C(=O)NC2CCCCCC2)c(=O)n1Cc1ccc(F)cc1)-c1ccccc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50408220
(CHEMBL4175577)Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265747
((4-methylnaphthalen-1-yl)(1-propyl-1H-indol-3-yl)m...)Show InChI InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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
(Homo sapiens (Human)) | BDBM50157304
(3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...)Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6.5 | 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]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs |
Eur J Med Chem 116: 252-266 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.072 BindingDB Entry DOI: 10.7270/Q2DJ5HHP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50408226
(CHEMBL4167303)Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1 Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265647
((3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)...)Show InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | 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
(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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.5 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.
| Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5... |
ACS Chem Biol 9: 1499-507 (2014)
Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222797
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 2
(Homo sapiens (Human)) | BDBM50408215
(CHEMBL4175177)Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50556536
(CHEMBL4781965)Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CCCCCC2)c(=O)n(Cc2ccc(F)cc2)c1C | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell membranes incubated for 90 mins |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112858 BindingDB Entry DOI: 10.7270/Q2SQ943D |
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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 10.6 | 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]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr |
J Med Chem 55: 9973-87 (2012)
Article DOI: 10.1021/jm301212u BindingDB Entry DOI: 10.7270/Q22808R5 |
More data for this Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM50562160
(CHEMBL4757403)Show SMILES Oc1cc(C(=O)N2CCC(CC2)C(=O)c2ccc(Sc3ccccc3)cc2)c(F)cc1F | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant MAGL using varying concentration of 4-nitrophenylacetate as substrate incubated for 30 mins by microplate... |
Bioorg Med Chem Lett 13: 1119-23 (2003)
Article DOI: 10.1016/j.ejmech.2020.112857 BindingDB Entry DOI: 10.7270/Q2D21X0K |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222793
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 11.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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
(Homo sapiens (Human)) | BDBM50408220
(CHEMBL4175577)Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bern
Curated by ChEMBL
| Assay Description Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cell membranes after 90 mins |
Eur J Med Chem 154: 155-171 (2018)
Article DOI: 10.1016/j.ejmech.2018.05.019 BindingDB Entry DOI: 10.7270/Q24F1T87 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 12 | 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 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 13 | -45.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland.
| Assay Description In this assay, 18 ug of crude membrane expressing hCB1 or hCB2 receptors were re-suspended in 300 uL of binding buffer containing 50 mM Tris-HCl, 2.5... |
ACS Chem Biol 9: 1499-507 (2014)
Article DOI: 10.1021/cb500177c BindingDB Entry DOI: 10.7270/Q2T15295 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240608
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Displacement of [3H]CP-55940 from human recombinant 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 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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| 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 | |