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PubMed code 10465552

Compile data set for download or QSAR
Found 10 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


(Homo sapiens (Human))
BDBM50080105
PNG
((3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimet...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(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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PubMed
0.820n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
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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5.20n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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PubMed
8.90n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50080103
PNG
(5,5-Bis-(4-bromo-phenyl)-3-(2-morpholin-4-yl-ethyl...)
Show SMILES Brc1ccc(cc1)C1(NC(=O)N(CCN2CCOCC2)C1=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H21Br2N3O3/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)19(27)26(20(28)24-21)10-9-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,24,28)
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70n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to CB1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50080102
PNG
(CHEMBL71810 | JWH-030 | Naphthalen-1-yl-(1-pentyl-...)
Show SMILES CCCCCn1ccc(c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3
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87n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Binding affinity for brain CBI receptor was determined


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50080104
PNG
(5,5-Bis-(4-bromo-phenyl)-3-heptyl-imidazolidine-2,...)
Show SMILES CCCCCCCN1C(=O)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C22H24Br2N2O2/c1-2-3-4-5-6-15-26-20(27)22(25-21(26)28,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h7-14H,2-6,15H2,1H3,(H,25,28)
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98n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to CB1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50080106
PNG
(5,5-Bis-(4-bromo-phenyl)-3-(3-hydroxy-propyl)-imid...)
Show SMILES OCCCN1C(=O)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C18H16Br2N2O3/c19-14-6-2-12(3-7-14)18(13-4-8-15(20)9-5-13)16(24)22(10-1-11-23)17(25)21-18/h2-9,23H,1,10-11H2,(H,21,25)
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103n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to CB1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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152n/an/an/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
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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n/an/a 14n/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
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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n/an/a 28n/an/an/an/an/an/a



Universit£ Catholiqu£ de Louvain

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SR- 141716A binding to human CB1 receptor expressed in CHO cell membranes in presence of agonist 5'-guanylyimidodiphosphate ...


Bioorg Med Chem Lett 9: 2233-6 (1999)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%