Found 83 hits with Last Name = 'tanimoto' and Initial = 'n' 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 1
(Mus musculus (Mouse)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256378
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256318
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256315
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256218
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256317
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256319
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1 Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256319
(CHEMBL519288 | methyl 3-(3-(3-ethylpentan-3-yl)iso...)Show SMILES CCC(CC)(CC)c1cc(\N=C2/OCC3(CCCCC3)CN2C(=S)SC)on1 Show InChI InChI=1S/C21H33N3O2S2/c1-5-21(6-2,7-3)16-13-17(26-23-16)22-18-24(19(27)28-4)14-20(15-25-18)11-9-8-10-12-20/h13H,5-12,14-15H2,1-4H3/b22-18- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256431
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256318
(CHEMBL481508 | methyl 3-(3-tert-butylisoxazol-5-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(no1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(23-20-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256317
(CHEMBL511790 | methyl 3-(4-tert-butylthiazol-2-yli...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1nc(cs1)C(C)(C)C Show InChI InChI=1S/C18H27N3OS3/c1-17(2,3)13-10-25-14(19-13)20-15-21(16(23)24-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b20-15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256219
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256380
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256433
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12 Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256381
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256379
(CHEMBL482356 | methyl 3-(4-chloronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2ccccc12 Show InChI InChI=1S/C21H23ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256377
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256430
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12 Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256378
(CHEMBL482355 | methyl 3-(4-fluoronaphthalen-1-ylim...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(F)c2ccccc12 Show InChI InChI=1S/C21H23FN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h3-4,7-10H,2,5-6,11-14H2,1H3/b23-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256220
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256432
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12 Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213886
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256430
(CHEMBL481716 | methyl 3-(4-(dimethylamino)naphthal...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(N(C)C)c2ccccc12 Show InChI InChI=1S/C23H29N3OS2/c1-25(2)20-12-11-19(17-9-5-6-10-18(17)20)24-21-26(22(28)29-3)15-23(16-27-21)13-7-4-8-14-23/h5-6,9-12H,4,7-8,13-16H2,1-3H3/b24-21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256316
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Mus musculus (Mouse)) | BDBM50213886
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)Show InChI InChI=1S/C21H24N2S3/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256380
(CHEMBL482357 | methyl 3-(4-cyanonaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2ccccc12 Show InChI InChI=1S/C22H23N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h3-4,7-10H,2,5-6,11-12,14-15H2,1H3/b24-20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256218
(CHEMBL516406 | methyl 3-(naphthalen-1-ylimino)-2-o...)Show InChI InChI=1S/C21H24N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256222
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256431
(CHEMBL480578 | methyl 3-(5,6,7,8-tetrahydronaphtha...)Show InChI InChI=1S/C21H28N2OS2/c1-26-20(25)23-14-21(12-5-2-6-13-21)15-24-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19- | PDB
NCI pathway
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 |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256381
(CHEMBL519635 | methyl 3-(4-nitronaphthalen-1-ylimi...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3/b22-19- | PDB
NCI pathway
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 |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256377
(CHEMBL449624 | methyl 3-(5-tert-butylisoxazol-3-yl...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1cc(on1)C(C)(C)C Show InChI InChI=1S/C18H27N3O2S2/c1-17(2,3)13-10-14(20-23-13)19-15-21(16(24)25-4)11-18(12-22-15)8-6-5-7-9-18/h10H,5-9,11-12H2,1-4H3/b19-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256220
(CHEMBL475610 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2O2S/c1-26-20(24)23-14-21(12-5-2-6-13-21)15-25-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256219
(CHEMBL475772 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show InChI InChI=1S/C21H24N2OS2/c1-25-20(24)23-14-21(12-5-2-6-13-21)15-26-19(23)22-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3/b22-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256315
(CHEMBL469895 | methyl 3-(2-methoxyphenylimino)-2-o...)Show InChI InChI=1S/C18H24N2O2S2/c1-21-15-9-5-4-8-14(15)19-16-20(17(23)24-2)12-18(13-22-16)10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-13H2,1-2H3/b19-16- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256432
(CHEMBL480579 | methyl 3-(4-chloro-5,6,7,8-tetrahyd...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(Cl)c2CCCCc12 Show InChI InChI=1S/C21H27ClN2OS2/c1-27-20(26)24-13-21(11-5-2-6-12-21)14-25-19(24)23-18-10-9-17(22)15-7-3-4-8-16(15)18/h9-10H,2-8,11-14H2,1H3/b23-19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256433
(CHEMBL481888 | methyl 3-(4-cyano-5,6,7,8-tetrahydr...)Show SMILES CSC(=S)N1CC2(CCCCC2)CO\C1=N/c1ccc(C#N)c2CCCCc12 Show InChI InChI=1S/C22H27N3OS2/c1-28-21(27)25-14-22(11-5-2-6-12-22)15-26-20(25)24-19-10-9-16(13-23)17-7-3-4-8-18(17)19/h9-10H,2-8,11-12,14-15H2,1H3/b24-20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256316
(CHEMBL469896 | methyl 3-(benzo[c][1,2,5]oxadiazol-...)Show InChI InChI=1S/C17H20N4O2S2/c1-25-16(24)21-10-17(8-3-2-4-9-17)11-22-15(21)18-12-6-5-7-13-14(12)20-23-19-13/h5-7H,2-4,8-11H2,1H3/b18-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50256221
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14| Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256222
(CHEMBL475611 | methyl 3-(phenylimino)-2-oxa-4-azas...)Show InChI InChI=1S/C17H22N2OS2/c1-22-16(21)19-12-17(10-6-3-7-11-17)13-20-15(19)18-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b18-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 515 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50256221
(CHEMBL515604 | S-methyl 3-(naphthalen-1-ylimino)-2...)Show SMILES CSC(=O)N1CC2(CCCCC2)CN=C1Nc1cccc2ccccc12 |c:14| Show InChI InChI=1S/C21H25N3OS/c1-26-20(25)24-15-21(12-5-2-6-13-21)14-22-19(24)23-18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,22,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 624 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description
Binding affinity to human CB1 receptor |
Bioorg Med Chem Lett 18: 6444-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.070
BindingDB Entry DOI: 10.7270/Q20V8CNB |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50567456
(CHEMBL4865251)Show SMILES NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50501811
(CHEMBL4535964)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6| Show InChI InChI=1S/C18H16FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-5,8,10H,6-7H2,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50567457
(CHEMBL4866376)Show SMILES C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 |r,c:6| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM210091
(US9270353, 50)Show SMILES C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7| Show InChI InChI=1S/C19H16FN5OS/c1-11-8-19(2,25-18(22)27-11)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(9-21)10-23-16/h3-7,10H,1,8H2,2H3,(H2,22,25)(H,24,26)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM210070
(US9270353, 17)Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1 | PDB
MMDB
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B.MOAD
antibodypedia
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM116292
(US8637504, 59 | US9273053, 59 | US9650371, 59)Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6| Show InChI InChI=1S/C18H13ClFN5OS/c1-18(4-5-27-17(22)25-18)12-7-11(2-3-14(12)20)24-16(26)15-13(19)6-10(8-21)9-23-15/h2-7,9H,1H3,(H2,22,25)(H,24,26)/t18-/m0/s1 | PDB
MMDB
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
Integrase
(Human immunodeficiency virus 1) | BDBM50062551
(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r| Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1 | PDB
UniProtKB/TrEMBL
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| PDB
Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte... |
J Med Chem 56: 5901-16 (2013)
Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrase
(Human immunodeficiency virus 1) | BDBM50492496
(Cabotegravir | GSK-1265744A | GSK1265744 | GSK1265...)Show SMILES [H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r| Show InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
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MCE
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte... |
J Med Chem 56: 5901-16 (2013)
Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM116301
(US8637504, 76 | US9273053, 76 | US9650371, 76)Show SMILES C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6| Show InChI InChI=1S/C17H14F2N4OS/c1-17(6-7-25-16(20)23-17)12-8-11(3-4-13(12)19)22-15(24)14-5-2-10(18)9-21-14/h2-9H,1H3,(H2,20,23)(H,22,24)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01917
BindingDB Entry DOI: 10.7270/Q2445R8T |
More data for this
Ligand-Target Pair | |
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