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PubMed code 9379452

Compile data set for download or QSAR
Found 8 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 2


(Rattus norvegicus (Rat))
BDBM50061197
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12
Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1
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23n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50061196
PNG
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16|
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3
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36n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50061196
PNG
(8,8,11-Trimethyl-5-pentyl-3,4,8a,9,10,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c2OCCCc12 |c:16|
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h14-15,19-20H,5-13H2,1-4H3
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41n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061197
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-oct...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=O)CC3c2c2OCCCc12
Show InChI InChI=1S/C23H32O3/c1-4-5-6-8-15-13-20-21(22-17(15)9-7-12-25-22)18-14-16(24)10-11-19(18)23(2,3)26-20/h13,18-19H,4-12,14H2,1-3H3/t18?,19-/m1/s1
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90n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50061198
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8a,9,12,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CC=CCC3c2c2OCCCc12 |c:14|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-10-16-15-20-21(22-17(16)12-9-14-24-22)18-11-7-8-13-19(18)23(2,3)25-20/h7-8,15,18-19H,4-6,9-14H2,1-3H3/t18?,19-/m1/s1
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128n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Rattus norvegicus (Rat))
BDBM50061194
PNG
((R)-8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=C)CC3c2c2OCCCc12
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h15,19-20H,2,5-14H2,1,3-4H3/t19?,20-/m1/s1
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200n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for Cannabinoid receptor 2


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061198
PNG
((R)-8,8-Dimethyl-5-pentyl-3,4,8a,9,12,12a-hexahydr...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CC=CCC3c2c2OCCCc12 |c:14|
Show InChI InChI=1S/C23H32O2/c1-4-5-6-10-16-15-20-21(22-17(16)12-9-14-24-22)18-11-7-8-13-19(18)23(2,3)25-20/h7-8,15,18-19H,4-6,9-14H2,1-3H3/t18?,19-/m1/s1
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364n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50061194
PNG
((R)-8,8-Dimethyl-11-methylene-5-pentyl-3,4,8a,9,10...)
Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=C)CC3c2c2OCCCc12
Show InChI InChI=1S/C24H34O2/c1-5-6-7-9-17-15-21-22(23-18(17)10-8-13-25-23)19-14-16(2)11-12-20(19)24(3,4)26-21/h15,19-20H,2,5-14H2,1,3-4H3/t19?,20-/m1/s1
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884n/an/an/an/an/an/an/an/a



Kennesaw State University

Curated by ChEMBL


Assay Description
Binding affinity of the compound for cannabinoid receptor 1.


J Med Chem 40: 3312-8 (1997)


Article DOI: 10.1021/jm970136g
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%