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Articleid 50029783

Compile data set for download or QSAR
Found 38 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


(Homo sapiens (Human))
BDBM50287803
PNG
((2-Methyl-3-morpholin-4-ylmethyl-indol-1-yl)-napht...)
Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-23(17-26-13-15-29-16-14-26)21-10-4-5-12-24(21)27(18)25(28)22-11-6-8-19-7-2-3-9-20(19)22/h2-12H,13-17H2,1H3
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Article
8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50240608
PNG
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50240605
PNG
((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287806
PNG
((2,3-Dichloro-phenyl)-[2-methyl-3-(2-morpholin-4-y...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H22Cl2N2O2/c1-15-16(9-10-25-11-13-28-14-12-25)17-5-2-3-8-20(17)26(15)22(27)18-6-4-7-19(23)21(18)24/h2-8H,9-14H2,1H3
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287807
PNG
(2-[1-(2,6-Dichloro-benzoyl)-5-methoxy-2-methyl-1H-...)
Show SMILES COc1ccc2n(C(=O)c3c(Cl)cccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-16(13-21(28)26-8-10-31-11-9-26)17-12-15(30-2)6-7-20(17)27(14)23(29)22-18(24)4-3-5-19(22)25/h3-7,12H,8-11,13H2,1-2H3
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59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287809
PNG
(2-[1-(2-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-18(14-22(27)25-9-11-30-12-10-25)19-13-16(29-2)7-8-21(19)26(15)23(28)17-5-3-4-6-20(17)24/h3-8,13H,9-12,14H2,1-2H3
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69n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287805
PNG
(2-[1-(2-Chloro-4-fluoro-benzoyl)-5-methoxy-2-methy...)
Show SMILES COc1ccc2n(C(=O)c3ccc(F)cc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22ClFN2O4/c1-14-18(13-22(28)26-7-9-31-10-8-26)19-12-16(30-2)4-6-21(19)27(14)23(29)17-5-3-15(25)11-20(17)24/h3-6,11-12H,7-10,13H2,1-2H3
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134n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287801
PNG
(CHEMBL72324 | [5-Methoxy-2-methyl-1-(naphthalene-1...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12
Show InChI InChI=1S/C24H21NO4/c1-15-20(14-23(26)29-3)21-13-17(28-2)11-12-22(21)25(15)24(27)19-10-6-8-16-7-4-5-9-18(16)19/h4-13H,14H2,1-3H3
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142n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287802
PNG
((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(2-morphol...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H25ClN2O3/c1-16-20(9-10-25-11-13-29-14-12-25)21-15-19(28-2)7-8-22(21)26(16)23(27)17-3-5-18(24)6-4-17/h3-8,15H,9-14H2,1-2H3
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213n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50240606
PNG
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3
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216n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287804
PNG
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3
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354n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287808
PNG
(CHEMBL307210 | [1-(2-Chloro-benzoyl)-5-methoxy-2-m...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12
Show InChI InChI=1S/C20H18ClNO4/c1-12-15(11-19(23)26-3)16-10-13(25-2)8-9-18(16)22(12)20(24)14-6-4-5-7-17(14)21/h4-10H,11H2,1-3H3
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397n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50090806
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3
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435n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50009864
PNG
(CHEMBL274833 | [2-Methyl-1-(2-morpholin-4-yl-ethyl...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCOCC1
Show InChI InChI=1S/C26H26N2O2/c1-19-25(26(29)22-11-6-8-20-7-2-3-9-21(20)22)23-10-4-5-12-24(23)28(19)14-13-27-15-17-30-18-16-27/h2-12H,13-18H2,1H3
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638n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287803
PNG
((2-Methyl-3-morpholin-4-ylmethyl-indol-1-yl)-napht...)
Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H24N2O2/c1-18-23(17-26-13-15-29-16-14-26)21-10-4-5-12-24(21)27(18)25(28)22-11-6-8-19-7-2-3-9-20(19)22/h2-12H,13-17H2,1H3
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877n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287811
PNG
(2-[1-(2,3-Dichloro-benzyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(Cc3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(13-22(28)26-8-10-30-11-9-26)19-12-17(29-2)6-7-21(19)27(15)14-16-4-3-5-20(24)23(16)25/h3-7,12H,8-11,13-14H2,1-2H3
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1.05E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287808
PNG
(CHEMBL307210 | [1-(2-Chloro-benzoyl)-5-methoxy-2-m...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccccc2Cl)c2ccc(OC)cc12
Show InChI InChI=1S/C20H18ClNO4/c1-12-15(11-19(23)26-3)16-10-13(25-2)8-9-18(16)22(12)20(24)14-6-4-5-7-17(14)21/h4-10H,11H2,1-3H3
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1.72E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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1.92E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50240608
PNG
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3
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2.04E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50240606
PNG
((2-methyl-3-(2-morpholinoethyl)-1H-indol-1-yl)(nap...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H26N2O2/c1-19-21(13-14-27-15-17-30-18-16-27)23-10-4-5-12-25(23)28(19)26(29)24-11-6-8-20-7-2-3-9-22(20)24/h2-12H,13-18H2,1H3
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2.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287807
PNG
(2-[1-(2,6-Dichloro-benzoyl)-5-methoxy-2-methyl-1H-...)
Show SMILES COc1ccc2n(C(=O)c3c(Cl)cccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-16(13-21(28)26-8-10-31-11-9-26)17-12-15(30-2)6-7-20(17)27(14)23(29)22-18(24)4-3-5-19(22)25/h3-7,12H,8-11,13H2,1-2H3
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2.55E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287806
PNG
((2,3-Dichloro-phenyl)-[2-methyl-3-(2-morpholin-4-y...)
Show SMILES Cc1c(CCN2CCOCC2)c2ccccc2n1C(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H22Cl2N2O2/c1-15-16(9-10-25-11-13-28-14-12-25)17-5-2-3-8-20(17)26(15)22(27)18-6-4-7-19(23)21(18)24/h2-8H,9-14H2,1H3
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3.19E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50240605
PNG
((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3
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3.36E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287809
PNG
(2-[1-(2-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccccc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-18(14-22(27)25-9-11-30-12-10-25)19-13-16(29-2)7-8-21(19)26(15)23(28)17-5-3-4-6-20(17)24/h3-8,13H,9-12,14H2,1-2H3
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM22952
PNG
(CHEMBL73572 | Indomethacin derivative, 5 | methyl ...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
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4.02E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287801
PNG
(CHEMBL72324 | [5-Methoxy-2-methyl-1-(naphthalene-1...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2cccc3ccccc23)c2ccc(OC)cc12
Show InChI InChI=1S/C24H21NO4/c1-15-20(14-23(26)29-3)21-13-17(28-2)11-12-22(21)25(15)24(27)19-10-6-8-16-7-4-5-9-18(16)19/h4-13H,14H2,1-3H3
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4.61E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287805
PNG
(2-[1-(2-Chloro-4-fluoro-benzoyl)-5-methoxy-2-methy...)
Show SMILES COc1ccc2n(C(=O)c3ccc(F)cc3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H22ClFN2O4/c1-14-18(13-22(28)26-7-9-31-10-8-26)19-12-16(30-2)4-6-21(19)27(14)23(29)17-5-3-15(25)11-20(17)24/h3-6,11-12H,7-10,13H2,1-2H3
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5.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287810
PNG
(2-Methyl-3-morpholin-4-ylmethyl-1-naphthalen-1-yl-...)
Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12 |(8.88,-12.23,;7.56,-11.48,;7.56,-9.94,;8.81,-8.69,;10.5,-9.14,;10.55,-10.88,;12.08,-11.73,;13.57,-10.81,;13.54,-9.05,;11.98,-8.22,;4.9,-9.94,;3.59,-9.15,;2.26,-9.92,;2.26,-11.48,;3.59,-12.23,;4.9,-11.48,;6.23,-12.24,;6.25,-13.77,;7.58,-14.53,;7.58,-16.1,;6.25,-16.86,;4.9,-16.1,;3.57,-16.86,;2.23,-16.1,;2.23,-14.56,;3.57,-13.77,;4.9,-14.56,)|
Show InChI InChI=1S/C24H24N2O/c1-18-22(17-25-13-15-27-16-14-25)21-10-4-5-11-24(21)26(18)23-12-6-8-19-7-2-3-9-20(19)23/h2-12H,13-17H2,1H3
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6.68E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50287810
PNG
(2-Methyl-3-morpholin-4-ylmethyl-1-naphthalen-1-yl-...)
Show SMILES Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12 |(8.88,-12.23,;7.56,-11.48,;7.56,-9.94,;8.81,-8.69,;10.5,-9.14,;10.55,-10.88,;12.08,-11.73,;13.57,-10.81,;13.54,-9.05,;11.98,-8.22,;4.9,-9.94,;3.59,-9.15,;2.26,-9.92,;2.26,-11.48,;3.59,-12.23,;4.9,-11.48,;6.23,-12.24,;6.25,-13.77,;7.58,-14.53,;7.58,-16.1,;6.25,-16.86,;4.9,-16.1,;3.57,-16.86,;2.23,-16.1,;2.23,-14.56,;3.57,-13.77,;4.9,-14.56,)|
Show InChI InChI=1S/C24H24N2O/c1-18-22(17-25-13-15-27-16-14-25)21-10-4-5-11-24(21)26(18)23-12-6-8-19-7-2-3-9-20(19)23/h2-12H,13-17H2,1H3
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7.84E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287802
PNG
((4-Chloro-phenyl)-[5-methoxy-2-methyl-3-(2-morphol...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H25ClN2O3/c1-16-20(9-10-25-11-13-29-14-12-25)21-15-19(28-2)7-8-22(21)26(16)23(27)17-3-5-18(24)6-4-17/h3-8,15H,9-14H2,1-2H3
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1.03E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287804
PNG
(2-[1-(3-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-8-10-30-11-9-25)20-13-18(29-2)6-7-21(20)26(15)23(28)16-4-3-5-17(24)12-16/h3-7,12-13H,8-11,14H2,1-2H3
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1.68E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human peripheral cannabinoid receptor 2


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50090806
PNG
(2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indo...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50287811
PNG
(2-[1-(2,3-Dichloro-benzyl)-5-methoxy-2-methyl-1H-i...)
Show SMILES COc1ccc2n(Cc3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-18(13-22(28)26-8-10-30-11-9-26)19-12-17(29-2)6-7-21(19)27(15)14-16-4-3-5-20(24)23(16)25/h3-7,12H,8-11,13-14H2,1-2H3
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM22952
PNG
(CHEMBL73572 | Indomethacin derivative, 5 | methyl ...)
Show SMILES COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
Show InChI InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
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>2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against recombinant human central cannabinoid receptor 1


Bioorg Med Chem Lett 6: 2263-2268 (1996)


Article DOI: 10.1016/0960-894X(96)00426-X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%