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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50008813   
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 1


(Rattus norvegicus (rat))
BDBM50077519
PNG
(1-(2-Fluoro-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCF
Show InChI InChI=1S/C22H37FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(26)25-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-,16-15-
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52n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in absence of enzyme inhibitor PMSF


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077519
PNG
(1-(2-Fluoro-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCF
Show InChI InChI=1S/C22H37FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(26)25-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-,16-15-
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55n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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89n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077510
PNG
(1-((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCC
Show InChI InChI=1S/C23H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23(26)24-21-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H2,24,25,26)/b9-8-,12-11-,15-14-,18-17-
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91n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077522
PNG
(1-Isopropyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NC(C)C
Show InChI InChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(26)25-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H2,24,25,26)/b9-8-,12-11-,15-14-,18-17-
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131n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077511
PNG
(1-Ethyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetr...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCC
Show InChI InChI=1S/C22H38N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(25)23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H2,23,24,25)/b9-8-,12-11-,15-14-,18-17-
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156n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077510
PNG
(1-((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-3...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCC
Show InChI InChI=1S/C23H40N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23(26)24-21-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H2,24,25,26)/b9-8-,12-11-,15-14-,18-17-
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170n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in absence of enzyme inhibitor PMSF


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077522
PNG
(1-Isopropyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NC(C)C
Show InChI InChI=1S/C23H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(26)25-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H2,24,25,26)/b9-8-,12-11-,15-14-,18-17-
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204n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in absence of enzyme inhibitor PMSF


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077531
PNG
(((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-car...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)OCC
Show InChI InChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22(24)25-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
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218n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077525
PNG
(((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-car...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)OCCF
Show InChI InChI=1S/C22H36FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(25)26-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
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331n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077521
PNG
(1-Isobutyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-t...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCC(C)C
Show InChI InChI=1S/C24H42N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-24(27)26-22-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H2,25,26,27)/b9-8-,12-11-,15-14-,18-17-
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335n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077516
PNG
(1-(2-Hydroxy-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCO
Show InChI InChI=1S/C22H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22(26)24-20-21-25/h6-7,9-10,12-13,15-16,25H,2-5,8,11,14,17-21H2,1H3,(H2,23,24,26)/b7-6-,10-9-,13-12-,16-15-
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347n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077532
PNG
(1-Methyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tet...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NC
Show InChI InChI=1S/C21H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(24)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H2,22,23,24)/b8-7-,11-10-,14-13-,17-16-
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436n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077526
PNG
(CHEMBL61055 | Propyl-carbamic acid (5Z,8Z,11Z,14Z)...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)NCCC
Show InChI InChI=1S/C24H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-24(26)25-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-
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471n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077528
PNG
(CHEMBL61918 | [((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-te...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC1CC1
Show InChI InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23-24-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
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578n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077523
PNG
(1-(2-Methoxy-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)NCCOC
Show InChI InChI=1S/C23H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-23(26)25-21-22-27-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-22H2,1-2H3,(H2,24,25,26)/b8-7-,11-10-,14-13-,17-16-
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746n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077517
PNG
(2-[((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCCO
Show InChI InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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797n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077520
PNG
((5Z,8Z,11Z,14Z)-1-Isopropoxy-icosa-5,8,11,14-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(C)C
Show InChI InChI=1S/C23H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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871n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077514
PNG
((5Z,8Z,11Z,14Z)-1-(2-Fluoro-ethoxy)-icosa-5,8,11,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCCF
Show InChI InChI=1S/C22H37FO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-
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885n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077529
PNG
(CHEMBL61107 | Isopropyl-carbamic acid (5Z,8Z,11Z,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)NC(C)C
Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24(26)25-23(2)3/h8-9,11-12,14-15,17-18,23H,4-7,10,13,16,19-22H2,1-3H3,(H,25,26)/b9-8-,12-11-,15-14-,18-17-
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995n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077533
PNG
((5Z,8Z,11Z,14Z)-1-Propoxy-icosa-5,8,11,14-tetraene...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCCC
Show InChI InChI=1S/C23H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
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1.08E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077509
PNG
((5Z,8Z,11Z,14Z)-1-Allyloxy-icosa-5,8,11,14-tetraen...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC=C
Show InChI InChI=1S/C23H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-23H2,1H3/b9-8-,12-11-,15-14-,18-17-
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1.17E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077512
PNG
(((4Z,7Z,10Z,13Z)-Nonadeca-4,7,10,13-tetraenyl)-car...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCNC(=O)OC(C)C
Show InChI InChI=1S/C23H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-23(25)26-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
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1.23E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077530
PNG
((5Z,8Z,11Z,14Z)-1-sec-Butoxy-icosa-5,8,11,14-tetra...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(C)CC
Show InChI InChI=1S/C24H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24(3)5-2/h9-10,12-13,15-16,18-19,24H,4-8,11,14,17,20-23H2,1-3H3/b10-9-,13-12-,16-15-,19-18-
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1.31E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077527
PNG
((5Z,8Z,11Z,14Z)-1-Prop-2-ynyloxy-icosa-5,8,11,14-t...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC#C
Show InChI InChI=1S/C23H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-22-4-2/h2,8-9,11-12,14-15,17-18H,3,5-7,10,13,16,19-23H2,1H3/b9-8-,12-11-,15-14-,18-17-
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1.58E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077518
PNG
((5Z,8Z,11Z,14Z)-1-Butoxy-icosa-5,8,11,14-tetraene ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCCCC
Show InChI InChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25-23-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3/b10-9-,13-12-,16-15-,19-18-
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1.71E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077534
PNG
(CHEMBL294826 | Ethyl-carbamic acid (5Z,8Z,11Z,14Z)...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)NCC
Show InChI InChI=1S/C23H39NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(25)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
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2.20E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077524
PNG
((5Z,8Z,11Z,14Z)-1-Ethoxy-icosa-5,8,11,14-tetraene ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC
Show InChI InChI=1S/C22H38O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
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2.20E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077513
PNG
((5Z,8Z,11Z,14Z)-1-Isobutoxy-icosa-5,8,11,14-tetrae...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOCC(C)C
Show InChI InChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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2.48E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50077515
PNG
((5Z,8Z,11Z,14Z)-1-Methoxy-icosa-5,8,11,14-tetraene...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC
Show InChI InChI=1S/C21H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
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4.26E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in presence of enzyme inhibitor PMSF.


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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5.40E+3n/an/an/an/an/an/an/an/a



Organix, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for Ki value against rat whole brain P2 membrane preparation in absence of enzyme inhibitor PMSF


J Med Chem 42: 1975-81 (1999)


Article DOI: 10.1021/jm980711w
BindingDB Entry DOI: 10.7270/Q2DZ07HM
More data for this
Ligand-Target Pair