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Articleid 50030044

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50060617
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
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Article
5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards cannabinoid receptor in rat brain P2 membrane


Bioorg Med Chem Lett 7: 2669-2672 (1997)


Article DOI: 10.1016/S0960-894X(97)10047-6
BindingDB Entry DOI: 10.7270/Q26Q1X8V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50060617
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
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Article
21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle


Bioorg Med Chem Lett 7: 2669-2672 (1997)


Article DOI: 10.1016/S0960-894X(97)10047-6
BindingDB Entry DOI: 10.7270/Q26Q1X8V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50060617
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
PDB

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Article
21.2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to displace [3H]-CP-55,940 radioligand from cannabinoid receptor in rat brain P2 membrane


Bioorg Med Chem Lett 7: 2669-2672 (1997)


Article DOI: 10.1016/S0960-894X(97)10047-6
BindingDB Entry DOI: 10.7270/Q26Q1X8V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50060617
PNG
((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF
Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-
PDB

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Article
22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity to displace [3H]-CP-55,940 radioligand from cannabinoid receptor in rat brain P2 membrane


Bioorg Med Chem Lett 7: 2669-2672 (1997)


Article DOI: 10.1016/S0960-894X(97)10047-6
BindingDB Entry DOI: 10.7270/Q26Q1X8V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%