Found 53 hits of Enzyme Inhibition Constant Data 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)) | BDBM50224081
(CHEMBL235733 | N3-(1-(3,5-dimethyl)adamantyl)-7-ch...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-8-7-19(28)10-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224046
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31) | 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 |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224077
(CHEMBL236361 | N3-(1-(3,5-dimethyl)adamantyl)-1-pe...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=S)c2ccccc12 |w:13.13,15.15,18.18,11.10,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,TEB:10:11:20:17.15.14,10:11:20.18.17:14,16:15:20:12.21.11,16:15:12:20.18.21,19:18:14:12.11.22,19:18:12:15.14.22| Show InChI InChI=1S/C27H36N2OS/c1-4-5-8-11-29-15-21(23(31)20-9-6-7-10-22(20)29)24(30)28-27-14-19-12-25(2,17-27)16-26(3,13-19)18-27/h6-7,9-10,15,19H,4-5,8,11-14,16-18H2,1-3H3,(H,28,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224059
(CHEMBL235040 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccnc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-10-29-14-20(21(30)19-8-7-9-27-22(19)29)23(31)28-26-13-18-11-24(2,16-26)15-25(3,12-18)17-26/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 23.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224052
(CHEMBL393792 | adamantane-1-carboxylic Acid (4-Oxo...)Show SMILES CCCCCn1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11| Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)26-24(29)25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 25.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224051
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224063
(CHEMBL235946 | N3-(1-(3,5-dimethyl)adamantyl)-8-ch...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cccc(Cl)c12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-10-30-14-20(23(31)19-8-7-9-21(28)22(19)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224061
(CHEMBL392288 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cnccc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-9-29-14-20(22(30)19-13-27-8-7-21(19)29)23(31)28-26-12-18-10-24(2,16-26)15-25(3,11-18)17-26/h7-8,13-14,18H,4-6,9-12,15-17H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224062
(CHEMBL235487 | N3-((1-adamantyl)methyl)-4-oxo-1-pe...)Show SMILES CCCCCn1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:11:12:15:19.17.18,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18| Show InChI InChI=1S/C26H34N2O2/c1-2-3-6-9-28-16-22(24(29)21-7-4-5-8-23(21)28)25(30)27-17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224064
(CHEMBL235732 | N3-(1-(3,5-dimethyl)adamantyl)-6-ch...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:19:18:12:15.14.22,19:18:14:12.11.22,16:15:20:12.21.11,16:15:12:20.18.21| Show InChI InChI=1S/C27H35ClN2O2/c1-4-5-6-9-30-14-21(23(31)20-10-19(28)7-8-22(20)30)24(32)29-27-13-18-11-25(2,16-27)15-26(3,12-18)17-27/h7-8,10,14,18H,4-6,9,11-13,15-17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224083
(CHEMBL238047 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11,12:9:4:7.1.2,12:9:4.5.7:2| Show InChI InChI=1S/C29H31FN2O2/c1-27-11-20-12-28(2,16-27)18-29(13-20,17-27)31-26(34)23-15-32(14-19-7-9-21(30)10-8-19)24-6-4-3-5-22(24)25(23)33/h3-10,15,20H,11-14,16-18H2,1-2H3,(H,31,34) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
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PubMed
| 83.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224068
(CHEMBL235042 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1nc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:13.20,11.10,15.15,18.18,TLB:22:11:14.15.17:20,THB:22:15:20:12.11.21,21:11:14:17.18.20,21:18:14:12.22.11,TEB:10:11:14:17.18.20,10:11:14.15.17:20,16:15:12:18.20.21,16:15:20:12.11.21,19:18:14:12.22.11,19:18:12:14.15.22| Show InChI InChI=1S/C26H35N3O2/c1-4-5-8-11-29-20-10-7-6-9-19(20)22(30)21(28-29)23(31)27-26-14-18-12-24(2,16-26)15-25(3,13-18)17-26/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H,27,31) | PDB
Reactome pathway
KEGG
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PC sid
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Patents
| Article
PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224050
(CHEMBL393931 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:19.20,17.17,21.22,24.25,TLB:28:17:26:23.21.20,THB:27:24:20:18.17.28,27:17:26.24.23:20,28:21:26:18.27.17,TEB:16:17:26:23.21.20,16:17:26.24.23:20,22:21:26:18.27.17,22:21:18:26.24.27,25:24:20:18.17.28,25:24:18:21.20.28| Show InChI InChI=1S/C33H40N2O2/c1-4-5-11-16-35-26-15-10-9-14-25(26)29(36)27(28(35)24-12-7-6-8-13-24)30(37)34-33-19-23-17-31(2,21-33)20-32(3,18-23)22-33/h6-10,12-15,23H,4-5,11,16-22H2,1-3H3,(H,34,37) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224074
(((+/-)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-6-chlor...)Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2cc(Cl)ccc12 |w:11.10| Show InChI InChI=1S/C25H27ClN2O2/c1-2-3-6-14-28-16-21(24(29)20-15-18(26)12-13-23(20)28)25(30)27-22-11-7-9-17-8-4-5-10-19(17)22/h4-5,8,10,12-13,15-16,22H,2-3,6-7,9,11,14H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224074
(((+/-)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-6-chlor...)Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2cc(Cl)ccc12 |w:11.10| Show InChI InChI=1S/C25H27ClN2O2/c1-2-3-6-14-28-16-21(24(29)20-15-18(26)12-13-23(20)28)25(30)27-22-11-7-9-17-8-4-5-10-19(17)22/h4-5,8,10,12-13,15-16,22H,2-3,6-7,9,11,14H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224045
(((+/-))-N3-(1-(1-adamantyl)ethyl)-6-chloro-4-oxo-1...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,11:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-12-21(28)6-7-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224045
(((+/-))-N3-(1-(1-adamantyl)ethyl)-6-chloro-4-oxo-1...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,11:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-12-21(28)6-7-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224045
(((+/-))-N3-(1-(1-adamantyl)ethyl)-6-chloro-4-oxo-1...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,11:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-12-21(28)6-7-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224054
(CHEMBL392952 | N3-(1-adamantyl)-4-oxo-1-(2-(morpho...)Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc2c1=O |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9| Show InChI InChI=1S/C26H33N3O3/c30-24-21-3-1-2-4-23(21)29(6-5-28-7-9-32-10-8-28)17-22(24)25(31)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h1-4,17-20H,5-16H2,(H,27,31) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224072
(3-(naphthalene-1-carbonyl)-1-pentyl-1,4-dihydroqui...)Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H23NO2/c1-2-3-8-16-26-17-22(25(28)21-13-6-7-15-23(21)26)24(27)20-14-9-11-18-10-4-5-12-19(18)20/h4-7,9-15,17H,2-3,8,16H2,1H3 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224069
(CHEMBL394230 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(CCCc2ccccc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:12:9:4:7.1.2,12:9:4.5.7:2,0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11| Show InChI InChI=1S/C31H36N2O2/c1-29-15-23-16-30(2,19-29)21-31(17-23,20-29)32-28(35)25-18-33(14-8-11-22-9-4-3-5-10-22)26-13-7-6-12-24(26)27(25)34/h3-7,9-10,12-13,18,23H,8,11,14-17,19-21H2,1-2H3,(H,32,35) | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224082
(CHEMBL236539 | N3-(1-(3,5-dimethyl)adamantyl)-2-me...)Show SMILES CCCCCn1c(C)c(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ccccc12 |w:14.14,12.11,16.16,19.19,TLB:23:12:21:18.16.15,THB:22:19:15:13.12.23,22:12:21.19.18:15,23:16:21:13.22.12,TEB:11:12:21:18.16.15,11:12:21.19.18:15,17:16:21:13.22.12,17:16:13:21.19.22,20:19:13:16.15.23,20:19:15:13.12.23| Show InChI InChI=1S/C28H38N2O2/c1-5-6-9-12-30-19(2)23(24(31)21-10-7-8-11-22(21)30)25(32)29-28-15-20-13-26(3,17-28)16-27(4,14-20)18-28/h7-8,10-11,20H,5-6,9,12-18H2,1-4H3,(H,29,32) | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224046
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224046
(((+/-)-N3-(1-(1-adamantyl)ethyl)-4-oxo-1-pentyl-1,...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |w:11.11,TLB:11:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H36N2O2/c1-3-4-7-10-29-17-23(25(30)22-8-5-6-9-24(22)29)26(31)28-18(2)27-14-19-11-20(15-27)13-21(12-19)16-27/h5-6,8-9,17-21H,3-4,7,10-16H2,1-2H3,(H,28,31) | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224056
(CHEMBL235900 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(CCN2CCOCC2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:12:9:4:7.1.2,12:9:4.5.7:2,0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11| Show InChI InChI=1S/C28H37N3O3/c1-26-13-20-14-27(2,17-26)19-28(15-20,18-26)29-25(33)22-16-31(8-7-30-9-11-34-12-10-30)23-6-4-3-5-21(23)24(22)32/h3-6,16,20H,7-15,17-19H2,1-2H3,(H,29,33) | PDB
Reactome pathway
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| Article
PubMed
| 221 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224047
(1-(4-fluorobenzyl)-3-(naphthalene-1-carbonyl)-1,4-...)Show SMILES Fc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C27H18FNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2 | PDB
Reactome pathway
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PubMed
| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224057
(CHEMBL429986 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)c2ncccc12 |w:15.15,18.18,TLB:22:11:20:17.15.14,THB:21:18:14:12.11.22,21:11:20.18.17:14,22:15:20:12.21.11,10:11:20:17.15.14,TEB:16:15:20:12.21.11,16:15:12:20.18.21,19:18:12:15.14.22,19:18:14:12.11.22| Show InChI InChI=1S/C26H35N3O2/c1-4-5-6-10-29-14-19(22(30)21-20(29)8-7-9-27-21)23(31)28-26-13-18-11-24(2,16-26)15-25(3,12-18)17-26/h7-9,14,18H,4-6,10-13,15-17H2,1-3H3,(H,28,31) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
| Article
PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224051
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224078
(CHEMBL428553 | naphthalene-1-carboxylic acid (4-xo...)Show SMILES CCCCCn1cc(NC(=O)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-2-3-8-16-27-17-22(24(28)21-13-6-7-15-23(21)27)26-25(29)20-14-9-11-18-10-4-5-12-19(18)20/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224051
(((+/-)-N3-(1-(1-adamantyl)ethyl)-7-chloro-4-oxo-1-...)Show SMILES CCCCCn1cc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc12 |w:11.11,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19| Show InChI InChI=1S/C27H35ClN2O2/c1-3-4-5-8-30-16-23(25(31)22-7-6-21(28)12-24(22)30)26(32)29-17(2)27-13-18-9-19(14-27)11-20(10-18)15-27/h6-7,12,16-20H,3-5,8-11,13-15H2,1-2H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224070
(CHEMBL238048 | N3-(1-(3,5-dimethyl)adamantyl)-4-ox...)Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)c1cn(CCc2ccccc2)c2ccccc2c1=O |w:3.2,9.14,1.0,5.5,THB:8:5:2:10.9.11,8:9:4.5.7:2,11:9:4:7.1.2,11:1:4:10.8.9,TEB:12:9:4:7.1.2,12:9:4.5.7:2,0:1:4:10.8.9,0:1:10:4.5.8,6:5:2:10.9.11,6:5:10:1.2.11| Show InChI InChI=1S/C30H34N2O2/c1-28-14-22-15-29(2,18-28)20-30(16-22,19-28)31-27(34)24-17-32(13-12-21-8-4-3-5-9-21)25-11-7-6-10-23(25)26(24)33/h3-11,17,22H,12-16,18-20H2,1-2H3,(H,31,34) | PDB
Reactome pathway
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PubMed
| 333 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224055
(CHEMBL237171 | N3-(1-adamantyl)-4-oxo-1-pentyl-2-p...)Show SMILES CCCCCn1c(-c2ccccc2)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C31H36N2O2/c1-2-3-9-14-33-26-13-8-7-12-25(26)29(34)27(28(33)24-10-5-4-6-11-24)30(35)32-31-18-21-15-22(19-31)17-23(16-21)20-31/h4-8,10-13,21-23H,2-3,9,14-20H2,1H3,(H,32,35) | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 338 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224060
(3-benzoyl-1-pentyl-1,4-dihydroquinolin-4-one | CHE...)Show InChI InChI=1S/C21H21NO2/c1-2-3-9-14-22-15-18(20(23)16-10-5-4-6-11-16)21(24)17-12-7-8-13-19(17)22/h4-8,10-13,15H,2-3,9,14H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| 446 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224087
(1-hexyl-3-(naphthalene-1-carbonyl)-1,4-dihydroquin...)Show SMILES CCCCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C26H25NO2/c1-2-3-4-9-17-27-18-23(26(29)22-14-7-8-16-24(22)27)25(28)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16,18H,2-4,9,17H2,1H3 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 582 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224085
(1-benzyl-3-(naphthalene-1-carbonyl)-1,4-dihydroqui...)Show SMILES O=C(c1cccc2ccccc12)c1cn(Cc2ccccc2)c2ccccc2c1=O Show InChI InChI=1S/C27H19NO2/c29-26(22-15-8-12-20-11-4-5-13-21(20)22)24-18-28(17-19-9-2-1-3-10-19)25-16-7-6-14-23(25)27(24)30/h1-16,18H,17H2 | PDB
Reactome pathway
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PubMed
| 656 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224075
((-)-N3-(1-phenylethyl)-2-methyl-4-oxo-1-pentyl-1,4...)Show SMILES CCCCCn1c(C)c(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc12 |w:12.12| Show InChI InChI=1S/C24H28N2O2/c1-4-5-11-16-26-18(3)22(23(27)20-14-9-10-15-21(20)26)24(28)25-17(2)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,25,28) | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 663 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224065
(1-(4-bromobenzyl)-3-(naphthalene-1-carbonyl)-1,4-d...)Show SMILES Brc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C27H18BrNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2 | PDB
Reactome pathway
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PubMed
| 966 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180028
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180028
((+)-N3-(1-(1,2,3,4-tetrahydronaphthyl))-4-oxo-1-pe...)Show SMILES CCCCCn1cc(C(=O)NC2CCCc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C25H28N2O2/c1-2-3-8-16-27-17-21(24(28)20-13-6-7-15-23(20)27)25(29)26-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,10,12-13,15,17,22H,2-3,8-9,11,14,16H2,1H3,(H,26,29) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224067
(1-(4-chlorobenzyl)-3-(naphthalene-1-carbonyl)-1,4-...)Show SMILES Clc1ccc(Cn2cc(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C27H18ClNO2/c28-20-14-12-18(13-15-20)16-29-17-24(27(31)23-9-3-4-11-25(23)29)26(30)22-10-5-7-19-6-1-2-8-21(19)22/h1-15,17H,16H2 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224073
(CHEMBL397762 | N-(4-oxo-1-pentyl-1,4-dihydroquinol...)Show InChI InChI=1S/C23H26N2O2/c1-2-3-9-16-25-17-20(23(27)19-12-7-8-13-21(19)25)24-22(26)15-14-18-10-5-4-6-11-18/h4-8,10-13,17H,2-3,9,14-16H2,1H3,(H,24,26) | PDB
Reactome pathway
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| Article
PubMed
| 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224066
(3-(naphthalene-2-carbonyl)-1-pentyl-1,4-dihydroqui...)Show SMILES CCCCCn1cc(C(=O)c2ccc3ccccc3c2)c(=O)c2ccccc12 Show InChI InChI=1S/C25H23NO2/c1-2-3-8-15-26-17-22(25(28)21-11-6-7-12-23(21)26)24(27)20-14-13-18-9-4-5-10-19(18)16-20/h4-7,9-14,16-17H,2-3,8,15H2,1H3 | PDB
Reactome pathway
KEGG
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PubMed
| 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224071
(3-(anthracene-9-carbonyl)-1-pentyl-1,4-dihydroquin...)Show SMILES CCCCCn1cc(C(=O)c2c3ccccc3cc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C29H25NO2/c1-2-3-10-17-30-19-25(28(31)24-15-8-9-16-26(24)30)29(32)27-22-13-6-4-11-20(22)18-21-12-5-7-14-23(21)27/h4-9,11-16,18-19H,2-3,10,17H2,1H3 | PDB
Reactome pathway
KEGG
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Similars
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PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224049
(1-butyl-3-(naphthalene-1-carbonyl)-1,4-dihydroquin...)Show SMILES CCCCn1cc(C(=O)c2cccc3ccccc23)c(=O)c2ccccc12 Show InChI InChI=1S/C24H21NO2/c1-2-3-15-25-16-21(24(27)20-12-6-7-14-22(20)25)23(26)19-13-8-10-17-9-4-5-11-18(17)19/h4-14,16H,2-3,15H2,1H3 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224084
(3-((1-adamantyl)aminomethyl)-1-pentyl-1H-quinolin-...)Show SMILES CCCCCn1cc(CNC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12 |TLB:9:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C25H34N2O/c1-2-3-6-9-27-17-21(24(28)22-7-4-5-8-23(22)27)16-26-25-13-18-10-19(14-25)12-20(11-18)15-25/h4-5,7-8,17-20,26H,2-3,6,9-16H2,1H3 | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224088
(3-(naphthalene-1-carbonyl)-1-(2-(cyclohexyl)ethyl)...)Show SMILES O=C(c1cccc2ccccc12)c1cn(CCC2CCCCC2)c2ccccc2c1=O Show InChI InChI=1S/C28H27NO2/c30-27(23-15-8-12-21-11-4-5-13-22(21)23)25-19-29(18-17-20-9-2-1-3-10-20)26-16-7-6-14-24(26)28(25)31/h4-8,11-16,19-20H,1-3,9-10,17-18H2 | PDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224048
((-)-N3-(1-(2-naphthyl)ethyl)-2-methyl-4-oxo-1-pent...)Show SMILES CCCCCn1c(C)c(C(=O)NC(C)c2ccc3ccccc3c2)c(=O)c2ccccc12 |w:12.12| Show InChI InChI=1S/C28H30N2O2/c1-4-5-10-17-30-20(3)26(27(31)24-13-8-9-14-25(24)30)28(32)29-19(2)22-16-15-21-11-6-7-12-23(21)18-22/h6-9,11-16,18-19H,4-5,10,17H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224053
(1-hexyl-3-(4-methoxybenzoyl)-1,4-dihydroquinolin-4...)Show SMILES CCCCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc12 Show InChI InChI=1S/C23H25NO3/c1-3-4-5-8-15-24-16-20(23(26)19-9-6-7-10-21(19)24)22(25)17-11-13-18(27-2)14-12-17/h6-7,9-14,16H,3-5,8,15H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224058
(3-(benzo[1,3]dioxole-5-carbonyl)-1-pentyl-1,4-dihy...)Show SMILES CCCCCn1cc(C(=O)c2ccc3COCc3c2)c(=O)c2ccccc12 Show InChI InChI=1S/C23H23NO3/c1-2-3-6-11-24-13-20(23(26)19-7-4-5-8-21(19)24)22(25)16-9-10-17-14-27-15-18(17)12-16/h4-5,7-10,12-13H,2-3,6,11,14-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224086
(3-(naphthalene-1-carbonyl)-1-phenylpropyl-1,4-dihy...)Show SMILES O=C(c1cccc2ccccc12)c1cn(CCCc2ccccc2)c2ccccc2c1=O Show InChI InChI=1S/C29H23NO2/c31-28(24-17-8-14-22-13-4-5-15-23(22)24)26-20-30(19-9-12-21-10-2-1-3-11-21)27-18-7-6-16-25(27)29(26)32/h1-8,10-11,13-18,20H,9,12,19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224089
((-)-N3-(1-(1-naphthyl)ethyl)-2-methyl-4-oxo-1-pent...)Show SMILES CCCCCn1c(C)c(C(=O)NC(C)c2cccc3ccccc23)c(=O)c2ccccc12 |w:12.12| Show InChI InChI=1S/C28H30N2O2/c1-4-5-10-18-30-20(3)26(27(31)24-15-8-9-17-25(24)30)28(32)29-19(2)22-16-11-13-21-12-6-7-14-23(21)22/h6-9,11-17,19H,4-5,10,18H2,1-3H3,(H,29,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224080
(((+/-)1-pentyl-(3-(1,2,3,4-tetrahydronaphthyl)amin...)Show SMILES CCCCCn1cc(CNCC2CCCc3ccccc23)c(=O)c2ccccc12 |w:11.10| Show InChI InChI=1S/C26H32N2O/c1-2-3-8-16-28-19-22(26(29)24-14-6-7-15-25(24)28)18-27-17-21-12-9-11-20-10-4-5-13-23(20)21/h4-7,10,13-15,19,21,27H,2-3,8-9,11-12,16-18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50224079
(1-pentyl-(3-phenylethylaminomethyl)-1H-quinolin-4-...)Show InChI InChI=1S/C23H28N2O/c1-2-3-9-16-25-18-20(23(26)21-12-7-8-13-22(21)25)17-24-15-14-19-10-5-4-6-11-19/h4-8,10-13,18,24H,2-3,9,14-17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille 2
Curated by ChEMBL
| Assay Description
Inhibition of human CB2 receptor expressed in CHO cells |
J Med Chem 50: 5471-84 (2007)
Article DOI: 10.1021/jm070387h
BindingDB Entry DOI: 10.7270/Q2Z31ZC7 |
More data for this
Ligand-Target Pair | |
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