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PubMed code 1317925

Compile data set for download or QSAR
Found 6 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


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM239073
PNG
(US9416103, CP-55,940)
Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CC[C@H]2CCCO)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/t18-,20?,22?/m1/s1
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2n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229577
PNG
(CHEMBL63818)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H40O3/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/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20-/m1/s1
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45n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM60994
PNG
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)
Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
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46n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-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
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
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Article
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181n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229579
PNG
(CHEMBL65475)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3C[C@@H](CO)CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H40O3/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/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19?,20+/m0/s1
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190n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
Cannabinoid receptor


(Rattus norvegicus (Rat)-Rattus norvegicus (rat))
BDBM50229578
PNG
(CHEMBL65191)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2C3CC(CO)=CCC3C(C)(C)Oc2c1
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
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466n/an/an/an/an/an/an/an/a



Hebrew University

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive inhibition of [3H]3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[...


J Med Chem 35: 2065-9 (1992)


Article DOI: 10.1021/jm00089a018
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%