BindingDB logo
myBDB logout

PubMed code 17531479

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/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/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
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/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/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213900
PNG
(3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/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
0.900n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213888
PNG
(8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C19H26N2S3/c1-14(2)15-8-4-5-9-16(15)20-17-21(18(22)23-3)12-19(13-24-17)10-6-7-11-19/h4-5,8-9,14H,6-7,10-13H2,1-3H3/b20-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213883
PNG
(3-[(Z)-2,3-dimethyl-phenylimino]-2-thia-4-aza-spir...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(C)c1C
Show InChI InChI=1S/C19H26N2S3/c1-14-8-7-9-16(15(14)2)20-17-21(18(22)23-3)12-19(13-24-17)10-5-4-6-11-19/h7-9H,4-6,10-13H2,1-3H3/b20-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213891
PNG
(3-[(Z)-3-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1cccc(c1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-7-14(11-15)19-16-20(17(22)23-2)12-18(13-24-16)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3/b19-16-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213885
PNG
(3-[(Z)-2-trifluoromethyl-phenylimino]-2-thia-4-aza...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-5-2-6-10-17)12-26-15(23)22-14-8-4-3-7-13(14)18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213893
PNG
(3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12
Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213899
PNG
(3-[(Z)-2-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-9-5-4-8-14(15)19-16-20(17(22)23-2)12-18(13-24-16)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
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213904
PNG
(3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/b20-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213884
PNG
(3-[(Z)-benzo[1,2,5]thiadiazol-4-ylimino]-2-thia-4-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nsnc12
Show InChI InChI=1S/C17H20N4S4/c1-23-16(22)21-10-17(8-3-2-4-9-17)11-24-15(21)18-12-6-5-7-13-14(12)20-25-19-13/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
1.30n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213887
PNG
(3-[(Z)-4-cyano-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N3S3/c1-23-17(22)21-12-18(9-3-2-4-10-18)13-24-16(21)20-15-7-5-14(11-19)6-8-15/h5-8H,2-4,9-10,12-13H2,1H3/b20-16-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213897
PNG
(3-[(Z)-3-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(c1)C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-8-7-9-17(12-16)21-18-22(19(23)24-3)13-20(14-25-18)10-5-4-6-11-20/h7-9,12,15H,4-6,10-11,13-14H2,1-3H3/b21-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem
DrugBank
Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213901
PNG
(3-[(Z)-4-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-14(7-9-15)19-16-20(17(22)23-2)12-18(13-24-16)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3/b19-16-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
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-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213895
PNG
(3-[(Z)-indan-4-ylimino]-2-thia-4-aza-spiro[5.5]und...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCc12
Show InChI InChI=1S/C20H26N2S3/c1-24-19(23)22-13-20(11-3-2-4-12-20)14-25-18(22)21-17-10-6-8-15-7-5-9-16(15)17/h6,8,10H,2-5,7,9,11-14H2,1H3/b21-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/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/h7,9,11H,2-6,8,10,12-15H2,1H3/b22-19-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213896
PNG
(3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
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

Article
PubMed
6n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213903
PNG
(3-[(Z)-2-ethoxy-phenylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CCOc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C19H26N2OS3/c1-3-22-16-10-6-5-9-15(16)20-17-21(18(23)24-2)13-19(14-25-17)11-7-4-8-12-19/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/b20-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
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

Article
PubMed
6.80n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213906
PNG
(3-[(Z)-4-propyl-phenylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CCCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C20H28N2S3/c1-3-7-16-8-10-17(11-9-16)21-18-22(19(23)24-2)14-20(15-25-18)12-5-4-6-13-20/h8-11H,3-7,12-15H2,1-2H3/b21-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50213896
PNG
(3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
7n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213905
PNG
((Z)-methyl 5,5-diethyl-2-(2-isopropylphenylimino)-...)
Show SMILES CCC1(CC)CS\C(=N/c2ccccc2C(C)C)N(C1)C(=S)SC
Show InChI InChI=1S/C19H28N2S3/c1-6-19(7-2)12-21(18(22)23-5)17(24-13-19)20-16-11-9-8-10-15(16)14(3)4/h8-11,14H,6-7,12-13H2,1-5H3/b20-17-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213617
PNG
((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...)
Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
9.20n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213892
PNG
(3-[(Z)-quinolin-5-ylimino]-2-thia-4-aza-spiro[5.5]...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ncccc12
Show InChI InChI=1S/C20H23N3S3/c1-25-19(24)23-13-20(10-3-2-4-11-20)14-26-18(23)22-17-9-5-8-16-15(17)7-6-12-21-16/h5-9,12H,2-4,10-11,13-14H2,1H3/b22-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213890
PNG
(3-[(Z)-2-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-5-2-6-10-17)12-27-15(23)22-13-7-3-4-8-14(13)24-18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213899
PNG
(3-[(Z)-2-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-9-5-4-8-14(15)19-16-20(17(22)23-2)12-18(13-24-16)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
Article
PubMed
13n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213889
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-1-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCCc12
Show InChI InChI=1S/C21H28N2S3/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/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
Article
PubMed
15n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem
DrugBank
Article
PubMed
17n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213898
PNG
(3-[(Z)-4-trifluoromethyl-phenylimino]-2-thia-4-aza...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-3-2-4-10-17)12-26-15(23)22-14-7-5-13(6-8-14)18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213882
PNG
(3-[(Z)-4-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-7-9-17(10-8-16)21-18-22(19(23)24-3)13-20(14-25-18)11-5-4-6-12-20/h7-10,15H,4-6,11-14H2,1-3H3/b21-18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213902
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-2-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc2CCCCc2c1
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(11-5-2-6-12-21)15-26-19(23)22-18-10-9-16-7-3-4-8-17(16)13-18/h9-10,13H,2-8,11-12,14-15H2,1H3/b22-19-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213886
PNG
(3-[(Z)-naphthalen-1-ylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ccccc12
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
30n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
Show InChI InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213884
PNG
(3-[(Z)-benzo[1,2,5]thiadiazol-4-ylimino]-2-thia-4-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nsnc12
Show InChI InChI=1S/C17H20N4S4/c1-23-16(22)21-10-17(8-3-2-4-9-17)11-24-15(21)18-12-6-5-7-13-14(12)20-25-19-13/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
44n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213894
PNG
(6-[(Z)-2-isopropyl-phenylimino]-5-thia-7-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C17H22N2S3/c1-12(2)13-6-4-5-7-14(13)18-15-19(16(20)21-3)10-17(8-9-17)11-22-15/h4-7,12H,8-11H2,1-3H3/b18-15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213893
PNG
(3-[(Z)-1-methyl-1,2,3,4-tetrahydro-quinolin-5-ylim...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2N(C)CCCc12
Show InChI InChI=1S/C21H29N3S3/c1-23-13-7-8-16-17(9-6-10-18(16)23)22-19-24(20(25)26-2)14-21(15-27-19)11-4-3-5-12-21/h6,9-10H,3-5,7-8,11-15H2,1-2H3/b22-19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
85n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213904
PNG
(3-[(Z)-4-ethyl-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C19H26N2S3/c1-3-15-7-9-16(10-8-15)20-17-21(18(22)23-2)13-19(14-24-17)11-5-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3/b20-17-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213897
PNG
(3-[(Z)-3-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(c1)C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-8-7-9-17(12-16)21-18-22(19(23)24-3)13-20(14-25-18)10-5-4-6-11-20/h7-9,12,15H,4-6,10-11,13-14H2,1-3H3/b21-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213891
PNG
(3-[(Z)-3-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1cccc(c1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-7-14(11-15)19-16-20(17(22)23-2)12-18(13-24-16)9-4-3-5-10-18/h6-8,11H,3-5,9-10,12-13H2,1-2H3/b19-16-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
108n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213883
PNG
(3-[(Z)-2,3-dimethyl-phenylimino]-2-thia-4-aza-spir...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc(C)c1C
Show InChI InChI=1S/C19H26N2S3/c1-14-8-7-9-16(15(14)2)20-17-21(18(22)23-3)12-19(13-24-17)10-5-4-6-11-19/h7-9H,4-6,10-13H2,1-3H3/b20-17-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
114n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213881
PNG
(3-[(Z)-2-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-9-5-6-10-17(16)21-18-22(19(23)24-3)13-20(14-25-18)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3/b21-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213887
PNG
(3-[(Z)-4-cyano-phenylimino]-2-thia-4-aza-spiro[5.5...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C#N
Show InChI InChI=1S/C18H21N3S3/c1-23-17(22)21-12-18(9-3-2-4-10-18)13-24-16(21)20-15-7-5-14(11-19)6-8-15/h5-8H,2-4,9-10,12-13H2,1H3/b20-16-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
173n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213895
PNG
(3-[(Z)-indan-4-ylimino]-2-thia-4-aza-spiro[5.5]und...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2CCCc12
Show InChI InChI=1S/C20H26N2S3/c1-24-19(23)22-13-20(11-3-2-4-12-20)14-25-18(22)21-17-10-6-8-15-7-5-9-16(15)17/h6,8,10H,2-5,7,9,11-14H2,1H3/b21-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
243n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213900
PNG
(3-[(Z)-benzo[1,2,5]oxadiazol-4-ylimino]-2-thia-4-a...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2nonc12
Show InChI InChI=1S/C17H20N4OS3/c1-24-16(23)21-10-17(8-3-2-4-9-17)11-25-15(21)18-12-6-5-7-13-14(12)20-22-19-13/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
246n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213903
PNG
(3-[(Z)-2-ethoxy-phenylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CCOc1ccccc1\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C19H26N2OS3/c1-3-22-16-10-6-5-9-15(16)20-17-21(18(23)24-2)13-19(14-25-17)11-7-4-8-12-19/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3/b20-17-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
358n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213902
PNG
(3-[(Z)-5,6,7,8-tetrahydro-naphthalen-2-ylimino]-2-...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc2CCCCc2c1
Show InChI InChI=1S/C21H28N2S3/c1-25-20(24)23-14-21(11-5-2-6-12-21)15-26-19(23)22-18-10-9-16-7-3-4-8-17(16)13-18/h9-10,13H,2-8,11-12,14-15H2,1H3/b22-19-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
396n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213885
PNG
(3-[(Z)-2-trifluoromethyl-phenylimino]-2-thia-4-aza...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-5-2-6-10-17)12-26-15(23)22-14-8-4-3-7-13(14)18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
418n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213906
PNG
(3-[(Z)-4-propyl-phenylimino]-2-thia-4-aza-spiro[5....)
Show SMILES CCCc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C20H28N2S3/c1-3-7-16-8-10-17(11-9-16)21-18-22(19(23)24-2)14-20(15-25-18)12-5-4-6-13-20/h8-11H,3-7,12-15H2,1-2H3/b21-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
514n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213888
PNG
(8-[(Z)-2-isopropyl-phenylimino]-7-thia-9-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCC2)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C19H26N2S3/c1-14(2)15-8-4-5-9-16(15)20-17-21(18(22)23-3)12-19(13-24-17)10-6-7-11-19/h4-5,8-9,14H,6-7,10-13H2,1-3H3/b20-17-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
541n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213901
PNG
(3-[(Z)-4-methoxy-phenylimino]-2-thia-4-aza-spiro[5...)
Show SMILES COc1ccc(cc1)\N=C1/SCC2(CCCCC2)CN1C(=S)SC
Show InChI InChI=1S/C18H24N2OS3/c1-21-15-8-6-14(7-9-15)19-16-20(17(22)23-2)12-18(13-24-16)10-4-3-5-11-18/h6-9H,3-5,10-13H2,1-2H3/b19-16-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
671n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213890
PNG
(3-[(Z)-2-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-5-2-6-10-17)12-27-15(23)22-13-7-3-4-8-14(13)24-18(19,20)21/h3-4,7-8H,2,5-6,9-12H2,1H3/b22-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
711n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213892
PNG
(3-[(Z)-quinolin-5-ylimino]-2-thia-4-aza-spiro[5.5]...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1cccc2ncccc12
Show InChI InChI=1S/C20H23N3S3/c1-25-19(24)23-13-20(10-3-2-4-11-20)14-26-18(23)22-17-9-5-8-16-15(17)7-6-12-21-16/h5-9,12H,2-4,10-11,13-14H2,1H3/b22-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
763n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50213896
PNG
(3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mouse CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213882
PNG
(3-[(Z)-4-isopropyl-phenylimino]-2-thia-4-aza-spiro...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H28N2S3/c1-15(2)16-7-9-17(10-8-16)21-18-22(19(23)24-3)13-20(14-25-18)11-5-4-6-12-20/h7-10,15H,4-6,11-14H2,1-3H3/b21-18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213896
PNG
(3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213898
PNG
(3-[(Z)-4-trifluoromethyl-phenylimino]-2-thia-4-aza...)
Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H21F3N2S3/c1-25-16(24)23-11-17(9-3-2-4-10-17)12-26-15(23)22-14-7-5-13(6-8-14)18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.73E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213905
PNG
((Z)-methyl 5,5-diethyl-2-(2-isopropylphenylimino)-...)
Show SMILES CCC1(CC)CS\C(=N/c2ccccc2C(C)C)N(C1)C(=S)SC
Show InChI InChI=1S/C19H28N2S3/c1-6-19(7-2)12-21(18(22)23-5)17(24-13-19)20-16-11-9-8-10-15(16)14(3)4/h8-11,14H,6-7,12-13H2,1-5H3/b20-17-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213617
PNG
((Z)-methyl 2-(2-isopropylphenylimino)-5,5-dimethyl...)
Show SMILES CSC(=S)N1CC(C)(C)CS\C1=N/c1ccccc1C(C)C
Show InChI InChI=1S/C17H24N2S3/c1-12(2)13-8-6-7-9-14(13)18-15-19(16(20)21-5)10-17(3,4)11-22-15/h6-9,12H,10-11H2,1-5H3/b18-15-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Shionogi & Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3925-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.099
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%