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PubMed code 17513109

Compile data set for download or QSAR
Found 32 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))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213486
PNG
(CHEMBL247515 | N-(4-phenylbutan-2-yl)-5,6-dip-toly...)
Show SMILES CC(CCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:1.0|
Show InChI InChI=1S/C29H29N3O/c1-20-9-15-24(16-10-20)27-28(25-17-11-21(2)12-18-25)32-26(19-30-27)29(33)31-22(3)13-14-23-7-5-4-6-8-23/h4-12,15-19,22H,13-14H2,1-3H3,(H,31,33)
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5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213468
PNG
((S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylp...)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)11-19(13-29)27-23(30)20-12-26-21(15-3-7-17(24)8-4-15)22(28-20)16-5-9-18(25)10-6-16/h3-10,12,14,19,29H,11,13H2,1-2H3,(H,27,30)/t19-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213467
PNG
(CHEMBL246063 | N-(3-phenylpropyl)-5,6-dip-tolylpyr...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C28H27N3O/c1-20-10-14-23(15-11-20)26-27(24-16-12-21(2)13-17-24)31-25(19-30-26)28(32)29-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32)
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18n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213462
PNG
(CHEMBL396695 | N-(3-(methyl(phenyl)amino)propyl)-5...)
Show SMILES CN(CCCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O/c1-21-10-14-23(15-11-21)27-28(24-16-12-22(2)13-17-24)32-26(20-31-27)29(34)30-18-7-19-33(3)25-8-5-4-6-9-25/h4-6,8-17,20H,7,18-19H2,1-3H3,(H,30,34)
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25n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50213468
PNG
((S)-5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylp...)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)11-19(13-29)27-23(30)20-12-26-21(15-3-7-17(24)8-4-15)22(28-20)16-5-9-18(25)10-6-16/h3-10,12,14,19,29H,11,13H2,1-2H3,(H,27,30)/t19-/m0/s1
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30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213478
PNG
(CHEMBL245467 | N-(1-hydroxy-2,3-dihydro-1H-inden-2...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NC1Cc2ccccc2C1O |w:23.25,31.36|
Show InChI InChI=1S/C28H25N3O2/c1-17-7-11-19(12-8-17)25-26(20-13-9-18(2)10-14-20)30-24(16-29-25)28(33)31-23-15-21-5-3-4-6-22(21)27(23)32/h3-14,16,23,27,32H,15H2,1-2H3,(H,31,33)
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33n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50213465
PNG
((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1
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35n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213477
PNG
(CHEMBL247516 | N-(1-(2,6-dimethylphenoxy)propan-2-...)
Show SMILES CC(COc1c(C)cccc1C)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:1.0|
Show InChI InChI=1S/C30H31N3O2/c1-19-9-13-24(14-10-19)27-28(25-15-11-20(2)12-16-25)33-26(17-31-27)30(34)32-23(5)18-35-29-21(3)7-6-8-22(29)4/h6-17,23H,18H2,1-5H3,(H,32,34)
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39n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213465
PNG
((S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m0/s1
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45n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213479
PNG
(CHEMBL394295 | N-((1R,2R)-2-(hydroxymethyl)cyclohe...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@H]1CO
Show InChI InChI=1S/C26H29N3O2/c1-17-7-11-19(12-8-17)24-25(20-13-9-18(2)10-14-20)28-23(15-27-24)26(31)29-22-6-4-3-5-21(22)16-30/h7-15,21-22,30H,3-6,16H2,1-2H3,(H,29,31)/t21-,22+/m0/s1
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50n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35871
PNG
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid piperidi...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C24H26N4O/c1-17-6-10-19(11-7-17)22-23(20-12-8-18(2)9-13-20)26-21(16-25-22)24(29)27-28-14-4-3-5-15-28/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,29)
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53n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213476
PNG
(CHEMBL395923 | N-(cyclohexylmethyl)-5,6-dip-tolylp...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C26H29N3O/c1-18-8-12-21(13-9-18)24-25(22-14-10-19(2)11-15-22)29-23(17-27-24)26(30)28-16-20-6-4-3-5-7-20/h8-15,17,20H,3-7,16H2,1-2H3,(H,28,30)
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59n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50213467
PNG
(CHEMBL246063 | N-(3-phenylpropyl)-5,6-dip-tolylpyr...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C28H27N3O/c1-20-10-14-23(15-11-20)26-27(24-16-12-21(2)13-17-24)31-25(19-30-26)28(32)29-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-17,19H,6,9,18H2,1-2H3,(H,29,32)
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80n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to rat CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213471
PNG
((S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-5,6-dip-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1)C(N)=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)13-20(24(26)30)29-25(31)21-14-27-22(18-9-5-16(3)6-10-18)23(28-21)19-11-7-17(4)8-12-19/h5-12,14-15,20H,13H2,1-4H3,(H2,26,30)(H,29,31)/t20-/m0/s1
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105n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213472
PNG
(CHEMBL397311 | N-benzyl-N-methyl-5,6-dip-tolylpyra...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C27H25N3O/c1-19-9-13-22(14-10-19)25-26(23-15-11-20(2)12-16-23)29-24(17-28-25)27(31)30(3)18-21-7-5-4-6-8-21/h4-17H,18H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213470
PNG
(CHEMBL248125 | N-(1-hydroxypentan-2-yl)-5,6-dip-to...)
Show SMILES CCCC(CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:3.5|
Show InChI InChI=1S/C24H27N3O2/c1-4-5-20(15-28)26-24(29)21-14-25-22(18-10-6-16(2)7-11-18)23(27-21)19-12-8-17(3)9-13-19/h6-14,20,28H,4-5,15H2,1-3H3,(H,26,29)
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158n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213480
PNG
(CHEMBL247552 | N-((1R,2S)-2-(hydroxymethyl)cyclohe...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C26H29N3O2/c1-17-7-11-19(12-8-17)24-25(20-13-9-18(2)10-14-20)28-23(15-27-24)26(31)29-22-6-4-3-5-21(22)16-30/h7-15,21-22,30H,3-6,16H2,1-2H3,(H,29,31)/t21-,22-/m1/s1
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167n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213475
PNG
(CHEMBL246478 | N-isopentyl-5,6-dip-tolylpyrazine-2...)
Show SMILES CC(C)CCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O/c1-16(2)13-14-25-24(28)21-15-26-22(19-9-5-17(3)6-10-19)23(27-21)20-11-7-18(4)8-12-20/h5-12,15-16H,13-14H2,1-4H3,(H,25,28)
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178n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213466
PNG
(CHEMBL245860 | N-(cyclopropylmethyl)-5,6-dip-tolyl...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H23N3O/c1-15-3-9-18(10-4-15)21-22(19-11-5-16(2)6-12-19)26-20(14-24-21)23(27)25-13-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,25,27)
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178n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213464
PNG
(CHEMBL247517 | N-(1-(benzyloxy)butan-2-yl)-5,6-dip...)
Show SMILES CCC(COCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 |w:2.12|
Show InChI InChI=1S/C30H31N3O2/c1-4-26(20-35-19-23-8-6-5-7-9-23)32-30(34)27-18-31-28(24-14-10-21(2)11-15-24)29(33-27)25-16-12-22(3)13-17-25/h5-18,26H,4,19-20H2,1-3H3,(H,32,34)
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203n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213484
PNG
((S)-N-(1-hydroxy-3-methylbutan-2-yl)-5,6-dip-tolyl...)
Show SMILES CC(C)[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O2/c1-15(2)21(14-28)27-24(29)20-13-25-22(18-9-5-16(3)6-10-18)23(26-20)19-11-7-17(4)8-12-19/h5-13,15,21,28H,14H2,1-4H3,(H,27,29)/t21-/m1/s1
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237n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213463
PNG
((R)-N-(2-amino-2-oxo-1-phenylethyl)-5,6-dip-tolylp...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O2/c1-17-8-12-20(13-9-17)23-24(21-14-10-18(2)11-15-21)30-22(16-29-23)27(33)31-25(26(28)32)19-6-4-3-5-7-19/h3-16,25H,1-2H3,(H2,28,32)(H,31,33)/t25-/m1/s1
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238n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213473
PNG
(CHEMBL397387 | N-((1R,2S)-2-hydroxycyclohexyl)-5,6...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C25H27N3O2/c1-16-7-11-18(12-8-16)23-24(19-13-9-17(2)10-14-19)27-21(15-26-23)25(30)28-20-5-3-4-6-22(20)29/h7-15,20,22,29H,3-6H2,1-2H3,(H,28,30)/t20-,22+/m1/s1
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300n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213483
PNG
((R)-N-(1-hydroxy-3-methylbutan-2-yl)-5,6-dip-tolyl...)
Show SMILES CC(C)[C@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O2/c1-15(2)21(14-28)27-24(29)20-13-25-22(18-9-5-16(3)6-10-18)23(26-20)19-11-7-17(4)8-12-19/h5-13,15,21,28H,14H2,1-4H3,(H,27,29)/t21-/m0/s1
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316n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213485
PNG
((R)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-toly...)
Show SMILES CC(C)C[C@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H29N3O2/c1-16(2)13-21(15-29)27-25(30)22-14-26-23(19-9-5-17(3)6-10-19)24(28-22)20-11-7-18(4)8-12-20/h5-12,14,16,21,29H,13,15H2,1-4H3,(H,27,30)/t21-/m1/s1
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460n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM35881
PNG
(5,6-di-p-tolyl-pyrazine-2-carboxylic acid phenylam...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H21N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,29)
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509n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213482
PNG
(CHEMBL398114 | N-(2-phenoxyethyl)-5,6-dip-tolylpyr...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-19-8-12-21(13-9-19)25-26(22-14-10-20(2)11-15-22)30-24(18-29-25)27(31)28-16-17-32-23-6-4-3-5-7-23/h3-15,18H,16-17H2,1-2H3,(H,28,31)
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631n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213487
PNG
(CHEMBL246477 | N-isopropyl-5,6-dip-tolylpyrazine-2...)
Show SMILES CC(C)NC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C22H23N3O/c1-14(2)24-22(26)19-13-23-20(17-9-5-15(3)6-10-17)21(25-19)18-11-7-16(4)8-12-18/h5-14H,1-4H3,(H,24,26)
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656n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213481
PNG
(CHEMBL246476 | N-ethyl-5,6-dip-tolylpyrazine-2-car...)
Show SMILES CCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C21H21N3O/c1-4-22-21(25)18-13-23-19(16-9-5-14(2)6-10-16)20(24-18)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,25)
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2.38E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213469
PNG
(CHEMBL246273 | N-methyl-5,6-dip-tolylpyrazine-2-ca...)
Show SMILES CNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C20H19N3O/c1-13-4-8-15(9-5-13)18-19(16-10-6-14(2)7-11-16)23-17(12-22-18)20(24)21-3/h4-12H,1-3H3,(H,21,24)
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3.85E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50213474
PNG
(CHEMBL247712 | N-(2-hydroxyethyl)-5,6-dip-tolylpyr...)
Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCO
Show InChI InChI=1S/C21H21N3O2/c1-14-3-7-16(8-4-14)19-20(17-9-5-15(2)6-10-17)24-18(13-23-19)21(26)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,26)
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8.43E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 17: 3978-82 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.087
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%