Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50038361 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)) | BDBM21311
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375384
(CHEMBL263913)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Rattus norvegicus (Rat)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat spleen membrane |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375385
(CHEMBL264154)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
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
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375383
(CHEMBL440407)Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
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
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375392
(CHEMBL410243)Show SMILES CCOCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F4N3O2/c1-6-29-11-10-27-16(12-15(26(27)5)19(2,3)4)25-18(28)13-8-7-9-14(17(13)21)20(22,23)24/h7-9,12H,6,10-11H2,1-5H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375387
(CHEMBL261031)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23ClF3N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375390
(CHEMBL257224)Show SMILES CC(C)(C)c1c\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n(CC2CC2)s1 Show InChI InChI=1S/C19H21F3N2OS/c1-18(2,3)15-10-16(24(26-15)11-12-7-8-12)23-17(25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-10,12H,7-8,11H2,1-3H3/b23-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375381
(CHEMBL272754)Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N=c1cc(n(C)n1CC1CC1)C(C)(C)C |w:13.13| Show InChI InChI=1S/C21H26F3N3O/c1-13-15(7-6-8-16(13)21(22,23)24)19(28)25-18-11-17(20(2,3)4)26(5)27(18)12-14-9-10-14/h6-8,11,14H,9-10,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222843
(CHEMBL398666 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375393
(CHEMBL402938)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375394
(CHEMBL255347)Show SMILES CC(C)c1o\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n(CC2CC2)c1C Show InChI InChI=1S/C19H21F3N2O2/c1-11(2)16-12(3)24(10-13-7-8-13)18(26-16)23-17(25)14-5-4-6-15(9-14)19(20,21)22/h4-6,9,11,13H,7-8,10H2,1-3H3/b23-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375389
(CHEMBL401555)Show SMILES CC(C)(C)c1c\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n(CC2CC2)o1 Show InChI InChI=1S/C19H21F3N2O2/c1-18(2,3)15-10-16(24(26-15)11-12-7-8-12)23-17(25)13-5-4-6-14(9-13)19(20,21)22/h4-6,9-10,12H,7-8,11H2,1-3H3/b23-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375388
(CHEMBL257020)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H24F3N3O/c1-19(2,3)16-11-17(26(25(16)4)12-13-8-9-13)24-18(27)14-6-5-7-15(10-14)20(21,22)23/h5-7,10-11,13H,8-9,12H2,1-4H3/b24-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375386
(CHEMBL402734)Show SMILES Cc1ccc(cc1C(=O)N=c1cc(n(C)n1CC1CC1)C(C)(C)C)C(F)(F)F |w:9.9| Show InChI InChI=1S/C21H26F3N3O/c1-13-6-9-15(21(22,23)24)10-16(13)19(28)25-18-11-17(20(2,3)4)26(5)27(18)12-14-7-8-14/h6,9-11,14H,7-8,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375391
(CHEMBL256696)Show SMILES CC(C)(C)c1nn(CC2CC2)\c(=N\C(=O)c2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C18H20F3N3OS/c1-17(2,3)15-23-24(10-11-7-8-11)16(26-15)22-14(25)12-5-4-6-13(9-12)18(19,20)21/h4-6,9,11H,7-8,10H2,1-3H3/b22-16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21311
(4-(2-{3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]...)Show SMILES CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C Show InChI InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to CB1 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375383
(CHEMBL440407)Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375384
(CHEMBL263913)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375392
(CHEMBL410243)Show SMILES CCOCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F4N3O2/c1-6-29-11-10-27-16(12-15(26(27)5)19(2,3)4)25-18(28)13-8-7-9-14(17(13)21)20(22,23)24/h7-9,12H,6,10-11H2,1-5H3/b25-16+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375385
(CHEMBL264154)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375381
(CHEMBL272754)Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N=c1cc(n(C)n1CC1CC1)C(C)(C)C |w:13.13| Show InChI InChI=1S/C21H26F3N3O/c1-13-15(7-6-8-16(13)21(22,23)24)19(28)25-18-11-17(20(2,3)4)26(5)27(18)12-14-9-10-14/h6-8,11,14H,9-10,12H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375387
(CHEMBL261031)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23ClF3N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50222843
(CHEMBL398666 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375393
(CHEMBL402938)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375384
(CHEMBL263913)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCCC1)C(C)(C)C Show InChI InChI=1S/C22H27F4N3O/c1-21(2,3)17-12-18(29(28(17)4)13-14-8-5-6-9-14)27-20(30)15-10-7-11-16(19(15)23)22(24,25)26/h7,10-12,14H,5-6,8-9,13H2,1-4H3/b27-18+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.790 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.860 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222843
(CHEMBL398666 | N-(5-tert-butyl-3-(cyclopropylmethy...)Show SMILES Cc1c(s\c(=N/C(=O)c2cccc(c2)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F3N2OS/c1-12-16(19(2,3)4)27-18(25(12)11-13-8-9-13)24-17(26)14-6-5-7-15(10-14)20(21,22)23/h5-7,10,13H,8-9,11H2,1-4H3/b24-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375393
(CHEMBL402938)Show SMILES Cn1c(c\c(=N/C(=O)c2cc(ccc2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)16-10-17(27(26(16)4)11-12-5-6-12)25-18(28)14-9-13(20(22,23)24)7-8-15(14)21/h7-10,12H,5-6,11H2,1-4H3/b25-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375385
(CHEMBL264154)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CCC1)C(C)(C)C Show InChI InChI=1S/C21H25F4N3O/c1-20(2,3)16-11-17(28(27(16)4)12-13-7-5-8-13)26-19(29)14-9-6-10-15(18(14)22)21(23,24)25/h6,9-11,13H,5,7-8,12H2,1-4H3/b26-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375392
(CHEMBL410243)Show SMILES CCOCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C20H25F4N3O2/c1-6-29-11-10-27-16(12-15(26(27)5)19(2,3)4)25-18(28)13-8-7-9-14(17(13)21)20(22,23)24/h7-9,12H,6,10-11H2,1-5H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375383
(CHEMBL440407)Show SMILES CC(C)OCCn1n(C)c(c\c1=N/C(=O)c1cccc(c1F)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C21H27F4N3O2/c1-13(2)30-11-10-28-17(12-16(27(28)6)20(3,4)5)26-19(29)14-8-7-9-15(18(14)22)21(23,24)25/h7-9,12-13H,10-11H2,1-6H3/b26-17+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50211843
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at CB2 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50211843
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at CB1 receptor |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375387
(CHEMBL261031)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2Cl)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23ClF3N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375381
(CHEMBL272754)Show SMILES Cc1c(cccc1C(F)(F)F)C(=O)N=c1cc(n(C)n1CC1CC1)C(C)(C)C |w:13.13| Show InChI InChI=1S/C21H26F3N3O/c1-13-15(7-6-8-16(13)21(22,23)24)19(28)25-18-11-17(20(2,3)4)26(5)27(18)12-14-9-10-14/h6-8,11,14H,9-10,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50375382
(CHEMBL410014)Show SMILES Cn1c(c\c(=N/C(=O)c2cccc(c2F)C(F)(F)F)n1CC1CC1)C(C)(C)C Show InChI InChI=1S/C20H23F4N3O/c1-19(2,3)15-10-16(27(26(15)4)11-12-8-9-12)25-18(28)13-6-5-7-14(17(13)21)20(22,23)24/h5-7,10,12H,8-9,11H2,1-4H3/b25-16+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a |
Taisho Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant CB2 receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay |
Bioorg Med Chem 16: 1111-24 (2008)
Article DOI: 10.1016/j.bmc.2007.10.087
BindingDB Entry DOI: 10.7270/Q208665C |
More data for this
Ligand-Target Pair | |
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