Found 2199 hits with Last Name = 'weaver' and Initial = 'd' 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 |
|---|
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Sheep) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | KEGG
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
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| Article
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| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description
Effect on pancreatic polypeptide-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| PDB
Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM29611
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17) | PDB
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| Article
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | PDB
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| DrugBank
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
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| DrugBank
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PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Sheep) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | KEGG
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Sheep) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | KEGG
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50034110
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22) | PDB
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| Article
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
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| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DVanderbilt Program in Drug Discovery
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting |
Nat Chem Biol 4: 42-50 (2007)
Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
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| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DVanderbilt Program in Drug Discovery
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting |
Nat Chem Biol 4: 42-50 (2007)
Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | PDB
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| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute of Chemical Biology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 885-90 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
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| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50035179
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) | PDB
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| DrugBank
PDB
Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Muscarinic acetylcholine receptor M5
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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| Article
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DVanderbilt Program in Drug Discovery
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting |
Nat Chem Biol 4: 42-50 (2007)
Article DOI: 10.1038/nchembio.2007.55
BindingDB Entry DOI: 10.7270/Q2D50N55 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
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PubMed
| 1.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM9019
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | PDB
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| DrugBank
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PubMed
| 1.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(RAT) | BDBM50403547
(ATROPEN | ATROPINE)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? | Reactome pathway
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| Article
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute of Chemical Biology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 885-90 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302304
(1,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyrid...)Show InChI InChI=1S/C20H31N3O2/c1-15-13-21-18(12-17(15)14-23-8-10-25-11-9-23)22-19(24)20(3)7-5-4-6-16(20)2/h12-13,16H,4-11,14H2,1-3H3,(H,21,22,24) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50609113
(CHEMBL5276441) | PDB
Reactome pathway
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| | 2 | 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 | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM82509
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1B
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
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UniChem
| Article
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301315
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27) | PDB
Reactome pathway
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Sheep) | BDBM82509
(Melatonin,6-Hydroxy | melatonin, 6-Hydroxy)Show InChI InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16) | KEGG
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Neuron 13: 1177-85 (1994)
Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50277153
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2R,4R)-1,3,...)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20+,22+/m1/s1 | PDB
Reactome pathway
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
MMDB
Reactome pathway
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5 |
Bioorg Med Chem Lett 19: 6623-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302299
(2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyrid...)Show InChI InChI=1S/C18H29N3O2/c1-5-6-18(3,4)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22) | PDB
Reactome pathway
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description
Effect on neuropeptide Y-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
Reactome pathway
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description
Effect on peptide YY-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell mem... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976
BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this
Ligand-Target Pair | |
Melatonin receptor type 1A
(Homo sapiens (Human)) | BDBM50043289
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17) | PDB
Reactome pathway
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| 6.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 92: 8734-8 (1995)
Article DOI: 10.1073/pnas.92.19.8734
BindingDB Entry DOI: 10.7270/Q2GH9GGM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302303
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)Show InChI InChI=1S/C20H31N3O2/c1-3-20(7-5-4-6-8-20)19(24)22-18-13-17(16(2)14-21-18)15-23-9-11-25-12-10-23/h13-14H,3-12,15H2,1-2H3,(H,21,22,24) | PDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302295
(CHEMBL570792 | N-(5-ethyl-4-(morpholinomethyl)pyri...)Show InChI InChI=1S/C18H29N3O2/c1-5-14-12-19-16(20-17(22)18(3,4)6-2)11-15(14)13-21-7-9-23-10-8-21/h11-12H,5-10,13H2,1-4H3,(H,19,20,22) | PDB
Reactome pathway
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PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301316
(CHEMBL568468 | N-(3,4-dimethyl-5-(morpholinomethyl...)Show InChI InChI=1S/C21H32N2O2/c1-15-6-4-5-7-20(15)21(24)22-19-12-16(2)17(3)18(13-19)14-23-8-10-25-11-9-23/h12-13,15,20H,4-11,14H2,1-3H3,(H,22,24) | PDB
Reactome pathway
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| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
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| Article
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50231845
(CHEMBL255523 | N-(3-chloro-4-(4-ethylpiperazin-1-y...)Show InChI InChI=1S/C20H30ClN3O/c1-2-23-11-13-24(14-12-23)19-9-8-17(15-18(19)21)22-20(25)10-7-16-5-3-4-6-16/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25) | Reactome pathway
KEGG
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PubMed
| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt Institute of Chemical Biology
Curated by ChEMBL
| Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 18: 885-90 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.051
BindingDB Entry DOI: 10.7270/Q2DZ095Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302302
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)Show InChI InChI=1S/C19H29N3O2/c1-3-19(6-4-5-7-19)18(23)21-17-12-16(15(2)13-20-17)14-22-8-10-24-11-9-22/h12-13H,3-11,14H2,1-2H3,(H,20,21,23) | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301312
(3,3-difluoro-2-methyl-N-(4-methyl-3-(morpholinomet...)Show SMILES Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1CN1CCOCC1 Show InChI InChI=1S/C17H20F6N2O2/c1-11-3-4-13(9-12(11)10-25-5-7-27-8-6-25)24-14(26)15(2,16(18,19)20)17(21,22)23/h3-4,9H,5-8,10H2,1-2H3,(H,24,26) | PDB
Reactome pathway
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301306
(2-methyl-N-(4-methyl-3-(morpholinomethyl)-5-(trifl...)Show SMILES CC1CCCCC1C(=O)Nc1cc(CN2CCOCC2)c(C)c(c1)C(F)(F)F Show InChI InChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27) | PDB
Reactome pathway
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301317
(4-methyl-3-(morpholinomethyl)-N-((1S,4R)-1,3,3-tri...)Show SMILES Cc1ccc(cc1CN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C23H34N2O2/c1-16-5-6-17(13-18(16)15-25-9-11-27-12-10-25)20(26)24-21-22(2,3)19-7-8-23(21,4)14-19/h5-6,13,19,21H,7-12,14-15H2,1-4H3,(H,24,26)/t19-,21?,23+/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302305
(2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyrid...)Show InChI InChI=1S/C17H27N3O2/c1-5-17(3,4)16(21)19-15-10-14(13(2)11-18-15)12-20-6-8-22-9-7-20/h10-11H,5-9,12H2,1-4H3,(H,18,19,21) | PDB
Reactome pathway
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50609112
(CHEMBL5273718) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 26 | 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 2
(Homo sapiens (Human)) | BDBM50301307
(CHEMBL577487 | N-(2-fluoro-4-methyl-5-(morpholinom...)Show InChI InChI=1S/C20H29FN2O2/c1-14-5-3-4-6-17(14)20(24)22-19-12-16(15(2)11-18(19)21)13-23-7-9-25-10-8-23/h11-12,14,17H,3-10,13H2,1-2H3,(H,22,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301318
(4-methyl-3-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-tr...)Show SMILES Cc1ccc(cc1CCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C24H36N2O2/c1-17-5-6-19(15-18(17)8-10-26-11-13-28-14-12-26)21(27)25-22-23(2,3)20-7-9-24(22,4)16-20/h5-6,15,20,22H,7-14,16H2,1-4H3,(H,25,27)/t20-,22?,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302301
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)Show InChI InChI=1S/C18H27N3O2/c1-3-18(5-4-6-18)17(22)20-16-11-15(14(2)12-19-16)13-21-7-9-23-10-8-21/h11-12H,3-10,13H2,1-2H3,(H,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301319
(4-methyl-3-(3-morpholinopropyl)-N-((1S,4R)-1,3,3-t...)Show SMILES Cc1ccc(cc1CCCN1CCOCC1)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C25H38N2O2/c1-18-7-8-20(16-19(18)6-5-11-27-12-14-29-15-13-27)22(28)26-23-24(2,3)21-9-10-25(23,4)17-21/h7-8,16,21,23H,5-6,9-15,17H2,1-4H3,(H,26,28)/t21-,23?,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50302300
(1-ethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-...)Show InChI InChI=1S/C17H25N3O2/c1-3-17(4-5-17)16(21)19-15-10-14(13(2)11-18-15)12-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,18,19,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55960 from human cloned CB2 receptor after 60 mins by scintillation spectroscopy |
Bioorg Med Chem Lett 19: 5931-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.063
BindingDB Entry DOI: 10.7270/Q2HQ4001 |
More data for this
Ligand-Target Pair | |
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