BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 282 hits of ec50 for UniProtKB: P20272   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50000727
PNG
((R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-di...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 0.0350n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...

J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50061108
PNG
(3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimeth...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(CO)cc-23)c1
Show InChI InChI=1S/C25H34O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10-11,13-15,26-27H,6-9,12,16H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.0560n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...

J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM227552
PNG
(US9339486, CP55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/an/an/a 0.140n/an/an/an/a



The Cleveland Clinic Foundation

US Patent


Assay Description
The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...

US Patent US9339486 (2016)


BindingDB Entry DOI: 10.7270/Q2DN43W9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		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

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 0.160n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated intracellular cAMP level

J Med Chem 51: 5019-34 (2008)


Article DOI: 10.1021/jm800463f
BindingDB Entry DOI: 10.7270/Q2W096VS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 0.170n/an/an/an/a



Proteimax Biotechnology

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from Long-Evans rat striatal membrane CB1 receptor

Proc Natl Acad Sci U S A 104: 20588-93 (2007)


Article DOI: 10.1073/pnas.0706980105
BindingDB Entry DOI: 10.7270/Q23N234W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50061113
PNG
(3-(1',1'-dimethylheptyl)-6,6,9-trimethyl-6H-benzo[...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.180n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...

J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50459322
PNG
(CHEMBL4215369)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C24H39NO/c1-3-4-5-11-14-17-22(2)18-15-12-9-7-6-8-10-13-16-19-24(26)25-23-20-21-23/h7-10,14-15,17-18,22-23H,3-6,11-13,16,19-21H2,1-2H3,(H,25,26)/b9-7-,10-8-,17-14-,18-15-/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins

J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50242451
PNG
(CHEMBL510801 | hemopressin)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C53H77N13O12/c1-30(2)22-37(47(71)65-42(28-67)51(75)64-41(53(77)78)25-34-27-56-29-58-34)60-49(73)39(24-33-16-9-6-10-17-33)61-46(70)36(18-11-12-20-54)59-48(72)38(23-32-14-7-5-8-15-32)62-50(74)40(26-43(55)68)63-52(76)44(31(3)4)66-45(69)35-19-13-21-57-35/h5-10,14-17,27,29-31,35-42,44,57,67H,11-13,18-26,28,54H2,1-4H3,(H2,55,68)(H,56,58)(H,59,72)(H,60,73)(H,61,70)(H,62,74)(H,63,76)(H,64,75)(H,65,71)(H,66,69)(H,77,78)/t35-,36-,37-,38-,39-,40-,41-,42-,44-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.350n/an/an/an/a



Proteimax Biotechnology

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from Long-Evans rat striatal membrane CB1 receptor

Proc Natl Acad Sci U S A 104: 20588-93 (2007)


Article DOI: 10.1073/pnas.0706980105
BindingDB Entry DOI: 10.7270/Q23N234W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.400n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins

J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.400n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 8 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463775
PNG
(CHEMBL4240671)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC(F)(F)F |r,c:4|
Show InChI InChI=1S/C22H28F3NO3/c1-13-6-7-17-16(10-13)20-18(27)11-15(12-19(20)29-21(17,3)4)14(2)26-28-9-5-8-22(23,24)25/h6,11-12,16-17,27H,5,7-10H2,1-4H3/b26-14+/t16-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins

J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 8 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50061111
PNG
((R)-3-(1,1-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,8...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |t:15|
Show InChI InChI=1S/C25H38O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20,26H,7-13H2,1-6H3/t19?,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.580n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...

J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463778
PNG
(CHEMBL4240996)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC |r,c:4|
Show InChI InChI=1S/C22H31NO3/c1-6-7-10-25-23-15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)22(4,5)26-20(21)13-16/h8,12-13,17-18,24H,6-7,9-11H2,1-5H3/b23-15+/t17-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.580n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50267487
PNG
(1-(4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfo...)
Show SMILES FC(F)(F)c1ccc(CC(=O)N2CCN(CC2)S(=O)(=O)c2cc(cc(c2)C(F)(F)F)C2CC2)cc1
Show InChI InChI=1S/C23H22F6N2O3S/c24-22(25,26)18-5-1-15(2-6-18)11-21(32)30-7-9-31(10-8-30)35(33,34)20-13-17(16-3-4-16)12-19(14-20)23(27,28)29/h1-2,5-6,12-14,16H,3-4,7-11H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level

J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50459314
PNG
(CHEMBL4208628)
Show SMILES CCCCC\C=C/[C@H](C)\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r|
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins

J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463782
PNG
(CHEMBL4242964)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCCF |r,c:4|
Show InChI InChI=1S/C22H30FNO3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8-11H2,1-4H3/b24-15+/t17-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50078769
PNG
(CHEMBL3416128)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23|
Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins

J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50557514
PNG
(CHEMBL4779296)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C12CC3CC(CC(CN=C=S)(C3)O1)C2 |r,TLB:23:24:21.22.31:32,27:26:21:33.23.24,THB:23:22:32:33.24.25,25:24:21:31.26.32,25:26:21:33.23.24|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Agonist activity at rat brain CB1 receptor assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127882
BindingDB Entry DOI: 10.7270/Q2NP283T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50557516
PNG
(CHEMBL4787347)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C12CC3CC(CC(CN=[N+]=[N-])(C3)O1)C2 |r,TLB:24:25:22.23.32:33,28:27:22:34.24.25,THB:24:23:33:34.25.26,26:25:22:32.27.33,26:27:22:34.24.25|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Agonist activity at rat brain CB1 receptor assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127882
BindingDB Entry DOI: 10.7270/Q2NP283T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463780
PNG
(CHEMBL4249729)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCOc1ccccc1 |r,c:4|
Show InChI InChI=1S/C26H31NO4/c1-17-10-11-22-21(14-17)25-23(28)15-19(16-24(25)31-26(22,3)4)18(2)27-30-13-12-29-20-8-6-5-7-9-20/h5-10,15-16,21-22,28H,11-14H2,1-4H3/b27-18+/t21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50557517
PNG
(CHEMBL4760082)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C12CC3CC(CC(CN=C=S)(C3)O1)C2 |r,TLB:24:25:22.23.32:33,28:27:22:34.24.25,THB:24:23:33:34.25.26,26:25:22:32.27.33,26:27:22:34.24.25|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Agonist activity at rat brain CB1 receptor assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127882
BindingDB Entry DOI: 10.7270/Q2NP283T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233602
PNG
(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4|
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 8 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233602
PNG
(CHEMBL4071389 | US10882838, Example 1.8)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC#N |r,c:4|
Show InChI InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a<1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233604
PNG
(CHEMBL4063822 | US10882838, Example 1.19)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C26H33NO4/c1-17-8-9-20-19(14-17)23-21(28)15-18(16-22(23)31-25(20,2)3)26(10-7-11-26)24(29)30-13-6-4-5-12-27/h8,15-16,19-20,28H,4-7,9-11,13-14H2,1-3H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233622
PNG
(CHEMBL4073011 | US10882838, Example 1.35)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCC |r,c:4|
Show InChI InChI=1S/C22H30O4/c1-7-25-20(24)21(3,4)14-11-17(23)19-15-10-13(2)8-9-16(15)22(5,6)26-18(19)12-14/h8,11-12,15-16,23H,7,9-10H2,1-6H3/t15-,16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233601
PNG
(CHEMBL4062745)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCCC#N |r,c:4|
Show InChI InChI=1S/C25H33NO4/c1-16-9-10-19-18(13-16)22-20(27)14-17(15-21(22)30-25(19,4)5)24(2,3)23(28)29-12-8-6-7-11-26/h9,14-15,18-19,27H,6-8,10,12-13H2,1-5H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233600
PNG
(CHEMBL4098428 | US10882838, Example 1.10)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCn1ccnc1 |r,c:4|
Show InChI InChI=1S/C26H34N2O4/c1-17-7-8-20-19(13-17)23-21(29)14-18(15-22(23)32-26(20,4)5)25(2,3)24(30)31-12-6-10-28-11-9-27-16-28/h7,9,11,14-16,19-20,29H,6,8,10,12-13H2,1-5H3/t19-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233621
PNG
(CHEMBL4089791 | US10882838, Example 1.31)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)NCCCCC |r,c:4|
Show InChI InChI=1S/C25H37NO3/c1-7-8-9-12-26-23(28)24(3,4)17-14-20(27)22-18-13-16(2)10-11-19(18)25(5,6)29-21(22)15-17/h10,14-15,18-19,27H,7-9,11-13H2,1-6H3,(H,26,28)/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233599
PNG
(CHEMBL3104360)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a<1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50233605
PNG
(CHEMBL3104362 | US10882838, Example 1.20)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCC1)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C25H34O4/c1-5-6-12-28-23(27)25(10-7-11-25)17-14-20(26)22-18-13-16(2)8-9-19(18)24(3,4)29-21(22)15-17/h8,14-15,18-19,26H,5-7,9-13H2,1-4H3/t18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a<1n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor in rat brain membranes assessed as reduction in forskolin-stimulated cAMP level measured from 3 data points after 30...

J Med Chem 58: 665-81 (2015)


Article DOI: 10.1021/jm501165d
BindingDB Entry DOI: 10.7270/Q2K076HR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50328951
PNG
(CHEMBL1269767 | N,N'-(Iminodinonane-9,1-diyl)bis[5...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.34n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding

J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50078762
PNG
(CHEMBL3416121)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@@]12CC3CC(C[C@](C3)(C1)NC(=O)OC)C2 |r,TLB:23:24:21.22.27:28,27:22:34:26.28.25,27:26:34:21.22.23,29:26:34:21.22.23|
Show InChI InChI=1S/C27H37NO5/c1-25(2)20-5-4-18(29)9-19(20)23-21(30)7-17(8-22(23)33-25)26-10-15-6-16(11-26)13-27(12-15,14-26)28-24(31)32-3/h7-8,15-16,18-20,29-30H,4-6,9-14H2,1-3H3,(H,28,31)/t15?,16?,18-,19-,20-,26-,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins

J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50328966
PNG
(CHEMBL1269769 | N,N'-[(Methylimino)dipentane-5,1-d...)
Show SMILES CN(CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C45H45Cl6N7O2/c1-28-40(54-57(38-20-18-34(48)26-36(38)50)42(28)30-10-14-32(46)15-11-30)44(59)52-22-6-4-8-24-56(3)25-9-5-7-23-53-45(60)41-29(2)43(31-12-16-33(47)17-13-31)58(55-41)39-21-19-35(49)27-37(39)51/h10-21,26-27H,4-9,22-25H2,1-3H3,(H,52,59)(H,53,60)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.78n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat brain CB1 receptor assessed as inhibition of [35S]GTPgammaS binding

J Med Chem 53: 7048-60 (2010)


Article DOI: 10.1021/jm1006676
BindingDB Entry DOI: 10.7270/Q27P8ZMC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50459327
PNG
(CHEMBL4213900)
Show SMILES C[C@@H](\C=C/CCCCCN=[N+]=[N-])\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1 |r|
Show InChI InChI=1S/C24H38N4O/c1-22(17-13-9-7-11-15-21-26-28-25)16-12-8-5-3-2-4-6-10-14-18-24(29)27-23-19-20-23/h3-6,12-13,16-17,22-23H,2,7-11,14-15,18-21H2,1H3,(H,27,29)/b5-3-,6-4-,16-12-,17-13-/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 30 mins

J Med Chem 61: 8639-8657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00611
BindingDB Entry DOI: 10.7270/Q2HQ42HK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50603286
PNG
(CHEMBL5183405)
Show SMILES [H][C@@]12C[C@@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCC#N)CCC1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114027
BindingDB Entry DOI: 10.7270/Q2J96BFX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50078770
PNG
(CHEMBL3416129)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=[N+]=[N-])(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23|
Show InChI InChI=1S/C26H35N3O3/c1-24(2)20-4-3-18(30)8-19(20)23-21(31)6-17(7-22(23)32-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-28-29-27/h6-7,15-16,18-20,30-31H,3-5,8-14H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins

J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50061114
PNG
(3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-dimethyl-6H-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c-2c(OC(C)(C)c3ccc(cc-23)C(O)=O)c1
Show InChI InChI=1S/C25H32O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10-11,13-15,26H,6-9,12H2,1-5H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.40n/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenylylcyclase activity using African green monkey (COS-7) cells transfect...

J Med Chem 40: 3228-33 (1997)


Article DOI: 10.1021/jm970126f
BindingDB Entry DOI: 10.7270/Q27943TD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins

J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50532777
PNG
(CHEMBL4470925)
Show SMILES [H][C@@]12C[C@H](CO)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(C)(C)C(=O)OCCCC |r|
Show InChI InChI=1S/C24H36O5/c1-6-7-10-28-22(27)23(2,3)16-12-19(26)21-17-11-15(14-25)8-9-18(17)24(4,5)29-20(21)13-16/h12-13,15,17-18,25-26H,6-11,14H2,1-5H3/t15-,17-,18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as decrease in forskolin-stimulated cAMP levels after 30 mins

J Med Chem 59: 6903-19 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00717
BindingDB Entry DOI: 10.7270/Q2RV0S68
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463773
PNG
(CHEMBL4237501)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCc1ccccc1 |r,c:4|
Show InChI InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19+/t22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50432728
PNG
(CHEMBL2348461)
Show SMILES CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C12CC3CC(CC(C3)C1)C2 |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C25H34O3/c1-24(2)20-4-3-18(26)10-19(20)23-21(27)8-17(9-22(23)28-24)25-11-14-5-15(12-25)7-16(6-14)13-25/h8-9,14-16,18-20,26-27H,3-7,10-13H2,1-2H3/t14?,15?,16?,18-,19-,20-,25?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins

J Med Chem 58: 3104-16 (2015)


Article DOI: 10.1021/jm501960u
BindingDB Entry DOI: 10.7270/Q22R3TBC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		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

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50557513
PNG
(CHEMBL4795739)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C12CC3CC(CC(CN=[N+]=[N-])(C3)O1)C2 |r,TLB:23:24:21.22.31:32,27:26:21:33.23.24,THB:23:22:32:33.24.25,25:24:21:31.26.32,25:26:21:33.23.24|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.10n/an/an/an/a


TBA

Assay Description
Agonist activity at rat brain CB1 receptor assessed as decrease in forskolin-stimulated cAMP level stimulated for 30 mins followed by Eu-cAMP tracer ...

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127882
BindingDB Entry DOI: 10.7270/Q2NP283T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50267545
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1 |r|
Show InChI InChI=1S/C25H24F6N2O3S/c26-24(27,28)18-5-3-16(4-6-18)21-14-22(21)23(34)32-7-9-33(10-8-32)37(35,36)20-12-17(15-1-2-15)11-19(13-20)25(29,30)31/h3-6,11-13,15,21-22H,1-2,7-10,14H2/t21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 3.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level

J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50603278
PNG
(CHEMBL5176554)
Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)C1(CCCCCC#N)CCC1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.90n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114027
BindingDB Entry DOI: 10.7270/Q2J96BFX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50495106
PNG
(CHEMBL3104358 | US10882838, Example 1.16)
Show SMILES [H][C@@]12CC(C)=CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@H](C)C(=O)OCCCC |r,c:4|
Show InChI InChI=1S/C23H32O4/c1-6-7-10-26-22(25)15(3)16-12-19(24)21-17-11-14(2)8-9-18(17)23(4,5)27-20(21)13-16/h8,12-13,15,17-18,24H,6-7,9-11H2,1-5H3/t15-,17+,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.20n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins

J Med Chem 56: 10142-57 (2013)


Article DOI: 10.1021/jm4016075
BindingDB Entry DOI: 10.7270/Q241711Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50463786
PNG
(CHEMBL4249273)
Show SMILES [H][C@]12CC(C)=CC[C@]1([H])C(C)(C)Oc1cc(cc(O)c21)C(\C)=N\OCCCC#N |r,c:4|
Show InChI InChI=1S/C22H28N2O3/c1-14-7-8-18-17(11-14)21-19(25)12-16(13-20(21)27-22(18,3)4)15(2)24-26-10-6-5-9-23/h7,12-13,17-18,25H,5-6,8,10-11H2,1-4H3/b24-15+/t17-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.40n/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat Cb1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP levels

Bioorg Med Chem 26: 4963-4970 (2018)


Article DOI: 10.1016/j.bmc.2018.08.003
BindingDB Entry DOI: 10.7270/Q2BG2RNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))		BDBM50267582
PNG
((4-(3-cyclopropyl-5-(trifluoromethyl)phenylsulfony...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C22H20F6N2O3S/c23-21(24,25)17-5-3-15(4-6-17)20(31)29-7-9-30(10-8-29)34(32,33)19-12-16(14-1-2-14)11-18(13-19)22(26,27)28/h3-6,11-14H,1-2,7-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 4.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1R expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level

J Med Chem 52: 2550-8 (2009)


Article DOI: 10.1021/jm900063x
BindingDB Entry DOI: 10.7270/Q2028RF8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 282 total )  |  Next  |  Last  >>
Jump to: