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PubMed code 14575438

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))
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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Article
PubMed
400n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in CD rat brain membranes


J Nat Prod 66: 1364-8 (2003)


Article DOI: 10.1021/np030242n
BindingDB Entry DOI: 10.7270/Q2BZ65TG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50250766
PNG
(CHEMBL466777 | Semiplenamide G)
Show SMILES CCCCCCCCCCCCCCC[C@H]1O[C@]1(C)C(=O)NC(C)COC(C)=O |r|
Show InChI InChI=1S/C24H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-24(4,29-22)23(27)25-20(2)19-28-21(3)26/h20,22H,5-19H2,1-4H3,(H,25,27)/t20?,22-,24+/m1/s1
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1.79E+4n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in CD rat brain membranes


J Nat Prod 66: 1364-8 (2003)


Article DOI: 10.1021/np030242n
BindingDB Entry DOI: 10.7270/Q2BZ65TG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50250763
PNG
(CHEMBL465162 | Semiplenamide B)
Show SMILES CCCCCCCCCCCCC\C=C\CC\C=C(/C)C(=O)NCCOC(C)=O
Show InChI InChI=1S/C25H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)25(28)26-21-22-29-24(3)27/h16-17,20H,4-15,18-19,21-22H2,1-3H3,(H,26,28)/b17-16+,23-20+
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1.87E+4n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in CD rat brain membranes


J Nat Prod 66: 1364-8 (2003)


Article DOI: 10.1021/np030242n
BindingDB Entry DOI: 10.7270/Q2BZ65TG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50250762
PNG
(CHEMBL459704 | semiplenamide A)
Show SMILES CCCCCCCCCCCCC\C=C\CC\C=C(/C)C(=O)NCCO
Show InChI InChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26)/b16-15+,22-19+
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1.95E+4n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from CB1 receptor in CD rat brain membranes


J Nat Prod 66: 1364-8 (2003)


Article DOI: 10.1021/np030242n
BindingDB Entry DOI: 10.7270/Q2BZ65TG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%