new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 652 hits with Last Name = 'mugnaini' and Initial = 'c'   
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))
BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294105
PNG
(1-(Guanidino)-17-(N1-(methylcyclopropyl)guanidino)...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-[#6]-1-[#6]-[#6]-1 |w:21.20|
Show InChI InChI=1S/C22H47N7/c23-21(24)27-17-11-7-3-1-5-9-15-26-16-10-6-2-4-8-12-18-28-22(25)29-19-20-13-14-20/h20,26H,1-19H2,(H4,23,24,27)(H3,25,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392561
PNG
(CHEMBL2152813)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C31H38N2O2S/c1-5-6-10-17-33-20-25(28(35)32-29-30(2,3)21-15-16-31(29,4)19-21)27(34)24-14-13-23(18-26(24)33)36-22-11-8-7-9-12-22/h7-9,11-14,18,20-21,29H,5-6,10,15-17,19H2,1-4H3,(H,32,35)/t21?,29-,31-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21301
PNG
(7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)17-14-24(13-15-9-11-27-12-10-15)19-16(17)7-6-8-18(19)26-5/h6-8,14-15,21H,9-13H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392560
PNG
(CHEMBL2152812)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C30H36N2O2S/c1-5-6-16-32-19-24(27(34)31-28-29(2,3)20-14-15-30(28,4)18-20)26(33)23-13-12-22(17-25(23)32)35-21-10-8-7-9-11-21/h7-13,17,19-20,28H,5-6,14-16,18H2,1-4H3,(H,31,34)/t20?,28-,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21291
PNG
(6-methyl-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetrameth...)
Show SMILES Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show InChI InChI=1S/C23H31NO2/c1-15-6-7-17-18(20(25)21-22(2,3)23(21,4)5)14-24(19(17)12-15)13-16-8-10-26-11-9-16/h6-7,12,14,16,21H,8-11,13H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350161
PNG
(CHEMBL1814468)
Show SMILES CCCCCn1c2ccccc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C25H32N2O2/c1-2-3-6-9-27-22-8-5-4-7-20(22)13-21(24(27)29)23(28)26-25-14-17-10-18(15-25)12-19(11-17)16-25/h4-5,7-8,13,17-19H,2-3,6,9-12,14-16H2,1H3,(H,26,28)
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



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1|
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156100
PNG
(CHEMBL3780550)
Show SMILES CCCCCn1c2ccc(cc2cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:22:21:18:24.23.25,22:23:20.21.26:18|
Show InChI InChI=1S/C28H38N2O2/c1-4-5-6-9-30-25-8-7-22(18(2)3)13-23(25)14-24(27(30)32)26(31)29-28-15-19-10-20(16-28)12-21(11-19)17-28/h7-8,13-14,18-21H,4-6,9-12,15-17H2,1-3H3,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392551
PNG
(CHEMBL2152803)
Show SMILES CCCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C25H33FN2O2/c1-5-6-7-12-28-15-19(21(29)18-9-8-17(26)13-20(18)28)22(30)27-23-24(2,3)16-10-11-25(23,4)14-16/h8-9,13,15-16,23H,5-7,10-12,14H2,1-4H3,(H,27,30)/t16?,23-,25-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156101
PNG
(CHEMBL3780075)
Show SMILES CCCCCn1c2CCCCc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:20:27:24.23.26,25:24:27:21.20.19,THB:23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C25H36N2O3/c1-2-3-6-9-27-20-8-5-4-7-19(20)22(28)21(24(27)30)23(29)26-25-13-16-10-17(14-25)12-18(11-16)15-25/h16-18,28H,2-15H2,1H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50420890
PNG
(CHEMBL2087099)
Show SMILES CCCCCn1cc(C(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1 |TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(23-14-22(7-8-25(23)31)26-6-5-10-34-26)27(32)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392559
PNG
(CHEMBL2152811)
Show SMILES CCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O2S/c1-5-15-31-18-23(26(33)30-27-28(2,3)19-13-14-29(27,4)17-19)25(32)22-12-11-21(16-24(22)31)34-20-9-7-6-8-10-20/h6-12,16,18-19,27H,5,13-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21334
PNG
(1-(oxan-4-ylmethyl)-6-phenyl-3-[(2,2,3,3-tetrameth...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
Show InChI InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-16-21(10-11-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294107
PNG
(1-(Guanidino)-17-(N1-(beta-methylallyl)guanidino)-...)
Show SMILES [#6]-[#6](=[#6])-[#6]-[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:8.8|
Show InChI InChI=1S/C23H49N7/c1-21(2)15-20-30-23(26)29-19-14-10-6-4-8-12-17-27-16-11-7-3-5-9-13-18-28-22(24)25/h27H,1,3-20H2,2H3,(H4,24,25,28)(H3,26,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50130624
PNG
((6aR,10aR)-3-(2-hexyl-1,3-dioxolan-2-yl)-6,6,9-tri...)
Show SMILES CCCCCCC1(OCCO1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:20|
Show InChI InChI=1S/C25H36O4/c1-5-6-7-8-11-25(27-12-13-28-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)29-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156023
PNG
(CHEMBL3780521)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)C(C)C |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C29H33NO11S/c1-12(31)37-22-23(38-13(2)32)25(39-14(3)33)28(41-24(22)27(35)36)42-19-8-6-16-17-11-15-5-7-18(34)21-20(15)29(16,26(19)40-21)9-10-30(17)4/h5-8,16-17,19,22-26,28,34H,9-11H2,1-4H3,(H,35,36)/t16-,17+,19?,22?,23?,24?,25?,26-,28?,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350151
PNG
(CHEMBL1814458)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50335950
PNG
((2-methyl-1-pentyl-1H-indol-3-yl)(4,6,7-trimethyl-...)
Show SMILES CCCCCn1c(C)c(C(=O)c2ccc(CCC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C28H31NO/c1-4-6-11-19-29-20(3)27(25-15-9-10-16-26(25)29)28(30)24-18-17-21(12-5-2)22-13-7-8-14-23(22)24/h7-10,13-18H,4-6,11-12,19H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50072775
PNG
(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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50326618
PNG
(CHEMBL1254015 | [11C]-3-(2-methoxyethyl)-4,5-dimet...)
Show SMILES COCCn1c(C)c(C)sc1=NC(=O)C1C(C)(C)C1(C)C |w:11.12|
Show InChI InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50335937
PNG
(8-Methyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-ca...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(C)c12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C26H34N2O2/c1-3-4-5-9-28-16-22(24(29)21-8-6-7-17(2)23(21)28)25(30)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h6-8,16,18-20H,3-5,9-15H2,1-2H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21307
PNG
(6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramet...)
Show SMILES COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
Show InChI InChI=1S/C23H31NO4/c1-22(2)21(23(22,3)4)20(26)16-13-24(12-14-6-8-28-9-7-14)17-11-19(27-5)18(25)10-15(16)17/h10-11,13-14,21,25H,6-9,12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294109
PNG
(1-(Guanidino)-17-(N1-(propargyl)guanidino)-9-azahe...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]C#C |w:21.20|
Show InChI InChI=1S/C21H43N7/c1-2-15-27-21(24)28-19-14-10-6-4-8-12-17-25-16-11-7-3-5-9-13-18-26-20(22)23/h1,25H,3-19H2,(H4,22,23,26)(H3,24,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324634
PNG
(CHEMBL1215942 | N-(Adamantan-1-yl)-6-(furan-2-yl)-...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccco1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:15:12:17.19.18,16:17:12:15.20.14|
Show InChI InChI=1S/C29H34N2O3/c1-2-3-4-9-31-18-24(27(32)23-14-22(7-8-25(23)31)26-6-5-10-34-26)28(33)30-29-15-19-11-20(16-29)13-21(12-19)17-29/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells


J Med Chem 55: 5391-402 (2012)


Article DOI: 10.1021/jm3003334
BindingDB Entry DOI: 10.7270/Q2K64KCF
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50324652
PNG
(4-Oxo-1-pentyl-6-pyrrol-1-yl-1,4-dihydro-quinoline...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-n1cccc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,16:17:12:15.20.14,16:15:12:17.19.18|
Show InChI InChI=1S/C29H35N3O2/c1-2-3-4-11-32-19-25(27(33)24-15-23(7-8-26(24)32)31-9-5-6-10-31)28(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h5-10,15,19-22H,2-4,11-14,16-18H2,1H3,(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells


J Med Chem 53: 5915-28 (2010)


Article DOI: 10.1021/jm100123x
BindingDB Entry DOI: 10.7270/Q2PC33BG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5075-84 (2008)


Article DOI: 10.1021/jm800552f
BindingDB Entry DOI: 10.7270/Q20R9Q9B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272462
PNG
(CHEMBL525528 | N-(Adamant-1-yl)-7-fluoro-4-oxo-1-p...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc12 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C25H31FN2O2/c1-2-3-4-7-28-15-21(23(29)20-6-5-19(26)11-22(20)28)24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h5-6,11,15-18H,2-4,7-10,12-14H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392550
PNG
(CHEMBL2152802)
Show SMILES CCCCn1cc(C(=O)N[C@@H]2C(C)(C)C3CC[C@]2(C)C3)c(=O)c2ccc(F)cc12 |r|
Show InChI InChI=1S/C24H31FN2O2/c1-5-6-11-27-14-18(20(28)17-8-7-16(25)12-19(17)27)21(29)26-22-23(2,3)15-9-10-24(22,4)13-15/h7-8,12,14-15,22H,5-6,9-11,13H2,1-4H3,(H,26,29)/t15?,22-,24-/m1/s1
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21304
PNG
(6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetr...)
Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
Show InChI InChI=1S/C29H35NO3/c1-28(2)27(29(28,3)4)26(31)24-18-30(17-20-12-14-32-15-13-20)25-16-22(10-11-23(24)25)33-19-21-8-6-5-7-9-21/h5-11,16,18,20,27H,12-15,17,19H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272508
PNG
(CHEMBL507019 | N-(Adamant-1-yl)-4-oxo-1-pentyl-7-(...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(cc12)S(=O)(=O)c1ccccc1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Show InChI InChI=1S/C31H36N2O4S/c1-2-3-7-12-33-20-27(30(35)32-31-17-21-13-22(18-31)15-23(14-21)19-31)29(34)26-11-10-25(16-28(26)33)38(36,37)24-8-5-4-6-9-24/h4-6,8-11,16,20-23H,2-3,7,12-15,17-19H2,1H3,(H,32,35)
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5075-84 (2008)


Article DOI: 10.1021/jm800552f
BindingDB Entry DOI: 10.7270/Q20R9Q9B
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50244360
PNG
((6aR,10aR)-6,6,9-trimethyl-3-(2-(thiophen-2-yl)pro...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)c1cccs1 |r,t:1|
Show InChI InChI=1S/C23H28O2S/c1-14-8-9-17-16(11-14)21-18(24)12-15(13-19(21)25-23(17,4)5)22(2,3)20-7-6-10-26-20/h6-8,10,12-13,16-17,24H,9,11H2,1-5H3/t16-,17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156024
PNG
(CHEMBL3780852)
Show SMILES CCCCCn1c2cc(F)ccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:26:25:28:22.21.20,26:21:28:25.27.24,THB:24:25:22.23.28:20,24:23:20:25.27.26|
Show InChI InChI=1S/C31H37NO11S/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(43-26(24)29(36)38-6)44-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)42-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21?,24?,25?,26?,27?,28-,30?,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213605
PNG
((6aR,10aR)-3-(2-cycloheptylpropan-2-yl)-6,6,9-trim...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C1CCCCCC1 |t:1|
Show InChI InChI=1S/C26H38O2/c1-17-12-13-21-20(14-17)24-22(27)15-19(16-23(24)28-26(21,4)5)25(2,3)18-10-8-6-7-9-11-18/h12,15-16,18,20-21,27H,6-11,13-14H2,1-5H3/t20-,21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.940n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50156022
PNG
(CHEMBL3780166)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:25:24:27:21.20.19,25:20:27:24.26.23,THB:23:24:21.22.27:19,23:22:19:24.26.25|
Show InChI InChI=1S/C30H37NO10S/c1-14(33)37-25-21(13-32)40-29(27(39-16(3)35)26(25)38-15(2)34)42-22-9-7-18-19-12-17-6-8-20(36-5)24-23(17)30(18,28(22)41-24)10-11-31(19)4/h6-9,18-19,21-22,25-29,32H,10-13H2,1-5H3/t18-,19+,21?,22?,25?,26?,27?,28-,29?,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay


J Med Chem 59: 1052-67 (2016)


BindingDB Entry DOI: 10.7270/Q2GB25XB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50063884
PNG
((6aR,10aR)-3-(1-Hexyl-cyclopropyl)-6,6,9-trimethyl...)
Show SMILES CCCCCCC1(CC1)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H36O2/c1-5-6-7-8-11-25(12-13-25)18-15-21(26)23-19-14-17(2)9-10-20(19)24(3,4)27-22(23)16-18/h9,15-16,19-20,26H,5-8,10-14H2,1-4H3/t19-,20-/m1/s1
PDB

NCI pathway
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294108
PNG
(1-(Guanidino)-17-(N1-(benzyl)guanidino)-9-azahepta...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]=[#6](-[#7])-[#7]-[#6]-c1ccccc1 |w:21.20|
Show InChI InChI=1S/C25H47N7/c26-24(27)30-20-14-7-3-1-5-12-18-29-19-13-6-2-4-8-15-21-31-25(28)32-22-23-16-10-9-11-17-23/h9-11,16-17,29H,1-8,12-15,18-22H2,(H4,26,27,30)(H3,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350152
PNG
(CHEMBL1814459)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc([N+]([O-])=O)c12 |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C25H31N3O4/c1-2-3-4-8-27-15-20(23(29)19-6-5-7-21(22(19)27)28(31)32)24(30)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h5-7,15-18H,2-4,8-14H2,1H3,(H,26,30)
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



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195589
PNG
(2-amino-1,5-dihydro-7-[[(2S,4R)-2-(hydroxymethyl)-...)
Show SMILES Nc1nc2c(CN3C[C@H](O)C[C@H]3CO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(2-14-10(9)11(20)16-12)3-17-4-8(19)1-7(17)5-18/h2,7-8,14,18-19H,1,3-5H2,(H3,13,15,16,20)/t7-,8+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50133547
PNG
((6aR,10aR)-3-(2-Cyclohexyl-[1,3]dithiolan-2-yl)-6,...)
Show SMILES CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(SCCS1)C1CCCCC1 |t:1|
Show InChI InChI=1S/C25H34O2S2/c1-16-9-10-20-19(13-16)23-21(26)14-18(15-22(23)27-24(20,2)3)25(28-11-12-29-25)17-7-5-4-6-8-17/h9,14-15,17,19-20,26H,4-8,10-13H2,1-3H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.05n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50392564
PNG
(CHEMBL2152816)
Show SMILES COCCn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12 |r|
Show InChI InChI=1S/C29H34N2O3S/c1-28(2)19-12-13-29(3,17-19)27(28)30-26(33)23-18-31(14-15-34-4)24-16-21(10-11-22(24)25(23)32)35-20-8-6-5-7-9-20/h5-11,16,18-19,27H,12-15,17H2,1-4H3,(H,30,33)/t19?,27-,29-/m1/s1
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair
Polyamine oxidase


(Zea mays)
BDBM50294106
PNG
(1-(Guanidino)-17-(N1-(gamma-methylallyl)guanidino)...)
Show SMILES [#6]\[#6]=[#6]\[#6]-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |w:7.7|
Show InChI InChI=1S/C22H47N7/c1-2-3-18-28-22(25)29-20-15-11-7-5-9-13-17-26-16-12-8-4-6-10-14-19-27-21(23)24/h2-3,26H,4-20H2,1H3,(H4,23,24,27)(H3,25,28,29)/b3-2+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/a6.5n/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method


J Med Chem 52: 4774-85 (2009)


Article DOI: 10.1021/jm900371z
BindingDB Entry DOI: 10.7270/Q2TB16W1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50335931
PNG
(4-bromo-N-(5-tert-butyl-3-(cyclopropylmethyl)-4-me...)
Show SMILES Cc1c(s\c(=N/C(=O)c2ccc(Br)cc2)n1CC1CC1)C(C)(C)C
Show InChI InChI=1S/C19H23BrN2OS/c1-12-16(19(2,3)4)24-18(22(12)11-13-5-6-13)21-17(23)14-7-9-15(20)10-8-14/h7-10,13H,5-6,11H2,1-4H3/b21-18-
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



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB2 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 652 total )  |  Next  |  Last  >>
Jump to: