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PubMed code 16263284

Compile data set for download or QSAR
Found 36 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))
BDBM50176424
PNG
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176420
PNG
(CHEMBL202169 | N-(3-acetyl-1-benzyl-6-(4-chlorophe...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176431
PNG
(CHEMBL371252 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES COCCn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35)
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n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176423
PNG
(CHEMBL202064 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CC2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24Cl3N3O4/c1-15(36)25-27(33-16(2)37)23-13-22(17-5-7-18(30)8-6-17)26(21-10-9-19(31)12-24(21)32)34-28(23)35(29(25)38)14-20-4-3-11-39-20/h5-10,12-13,20H,3-4,11,14H2,1-2H3,(H,33,37)
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n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176435
PNG
(CHEMBL204232 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl3N3O3/c1-12(32)21-23(29-13(2)33)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)34)17-9-8-16(27)10-20(17)28/h4-11H,1-3H3,(H,29,33)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176437
PNG
(CHEMBL381677 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(C)c1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl3N3O2/c1-13(2)22-24(30-14(3)33)20-12-19(15-5-7-16(27)8-6-15)23(31-25(20)32(4)26(22)34)18-10-9-17(28)11-21(18)29/h5-13H,1-4H3,(H,30,33)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176436
PNG
(CHEMBL202659 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CN(C)c1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3N4O2/c1-13(33)29-22-19-12-18(14-5-7-15(26)8-6-14)21(17-10-9-16(27)11-20(17)28)30-24(19)32(4)25(34)23(22)31(2)3/h5-12H,1-4H3,(H,29,33)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176430
PNG
(CHEMBL201552 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES COCC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O4/c1-13(33)22-24(30-21(34)12-36-3)19-11-18(14-4-6-15(27)7-5-14)23(31-25(19)32(2)26(22)35)17-9-8-16(28)10-20(17)29/h4-11H,12H2,1-3H3,(H,30,34)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176434
PNG
(CHEMBL201102 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176427
PNG
(CHEMBL202013 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(=O)Nc1c(C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl3N3O2/c1-12-21(28-13(2)31)19-11-18(14-4-6-15(25)7-5-14)22(29-23(19)30(3)24(12)32)17-9-8-16(26)10-20(17)27/h4-11H,1-3H3,(H,28,31)
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176429
PNG
(CHEMBL380483 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CCO)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176425
PNG
(CHEMBL265787 | N-(6-(4-chlorophenyl)-3-cyano-7-(2,...)
Show SMILES CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176433
PNG
(CHEMBL202201 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)c1c(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H18Cl3N3O4/c1-12(33)21-23(29-20(34)11-32)18-10-17(13-3-5-14(26)6-4-13)22(30-24(18)31(2)25(21)35)16-8-7-15(27)9-19(16)28/h3-10,32H,11H2,1-2H3,(H,29,34)
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176426
PNG
(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)...)
Show SMILES CC(=O)c1c(C)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl3N2O2/c1-12-18-11-19(14-4-6-15(25)7-5-14)22(17-9-8-16(26)10-20(17)27)28-23(18)29(3)24(31)21(12)13(2)30/h4-11H,1-3H3
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176422
PNG
(CHEMBL203152 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)[nH]c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl3N3O3/c1-11(31)20-22(28-12(2)32)18-10-17(13-3-5-14(25)6-4-13)21(29-23(18)30-24(20)33)16-8-7-15(26)9-19(16)27/h3-10H,1-2H3,(H2,28,29,30,32,33)
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176428
PNG
(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)...)
Show SMILES CN(C)c1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3
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n/an/a 96n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176421
PNG
(CHEMBL204391 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30)
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50176432
PNG
(3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlor...)
Show SMILES CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl3N3O2/c1-11(30)19-20(27)17-10-16(12-3-5-13(24)6-4-12)21(28-22(17)29(2)23(19)31)15-8-7-14(25)9-18(15)26/h3-10H,27H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB1 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176421
PNG
(CHEMBL204391 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(=O)Nc1cc(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-12(30)27-20-11-21(31)29(2)23-18(20)10-17(13-3-5-14(24)6-4-13)22(28-23)16-8-7-15(25)9-19(16)26/h3-11H,1-2H3,(H,27,30)
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176425
PNG
(CHEMBL265787 | N-(6-(4-chlorophenyl)-3-cyano-7-(2,...)
Show SMILES CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)
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n/an/a 720n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176432
PNG
(3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlor...)
Show SMILES CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl3N3O2/c1-11(30)19-20(27)17-10-16(12-3-5-13(24)6-4-12)21(28-22(17)29(2)23(19)31)15-8-7-14(25)9-18(15)26/h3-10H,27H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176434
PNG
(CHEMBL201102 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES COc1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl3N3O3/c1-12(31)28-21-18-11-17(13-4-6-14(25)7-5-13)20(16-9-8-15(26)10-19(16)27)29-23(18)30(2)24(32)22(21)33-3/h4-11H,1-3H3,(H,28,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176423
PNG
(CHEMBL202064 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CC2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24Cl3N3O4/c1-15(36)25-27(33-16(2)37)23-13-22(17-5-7-18(30)8-6-17)26(21-10-9-19(31)12-24(21)32)34-28(23)35(29(25)38)14-20-4-3-11-39-20/h5-10,12-13,20H,3-4,11,14H2,1-2H3,(H,33,37)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176428
PNG
(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)...)
Show SMILES CN(C)c1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl3N3O2/c1-13(32)21-23(30(2)3)19-12-18(14-5-7-15(26)8-6-14)22(29-24(19)31(4)25(21)33)17-10-9-16(27)11-20(17)28/h5-12H,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176422
PNG
(CHEMBL203152 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)[nH]c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl3N3O3/c1-11(31)20-22(28-12(2)32)18-10-17(13-3-5-14(25)6-4-13)21(29-23(18)30-24(20)33)16-8-7-15(26)9-19(16)27/h3-10H,1-2H3,(H2,28,29,30,32,33)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176426
PNG
(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)...)
Show SMILES CC(=O)c1c(C)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H17Cl3N2O2/c1-12-18-11-19(14-4-6-15(25)7-5-14)22(17-9-8-16(26)10-20(17)27)28-23(18)29(3)24(31)21(12)13(2)30/h4-11H,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176427
PNG
(CHEMBL202013 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(=O)Nc1c(C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl3N3O2/c1-12-21(28-13(2)31)19-11-18(14-4-6-15(25)7-5-14)22(29-23(19)30(3)24(12)32)17-9-8-16(26)10-20(17)27/h4-11H,1-3H3,(H,28,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176429
PNG
(CHEMBL380483 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(CCO)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O4/c1-13(34)22-24(30-14(2)35)20-12-19(15-3-5-16(27)6-4-15)23(18-8-7-17(28)11-21(18)29)31-25(20)32(9-10-33)26(22)36/h3-8,11-12,33H,9-10H2,1-2H3,(H,30,35)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176431
PNG
(CHEMBL371252 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES COCCn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl3N3O4/c1-14(34)23-25(31-15(2)35)21-13-20(16-4-6-17(28)7-5-16)24(19-9-8-18(29)12-22(19)30)32-26(21)33(27(23)36)10-11-37-3/h4-9,12-13H,10-11H2,1-3H3,(H,31,35)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176436
PNG
(CHEMBL202659 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CN(C)c1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3N4O2/c1-13(33)29-22-19-12-18(14-5-7-15(26)8-6-14)21(17-10-9-16(27)11-20(17)28)30-24(19)32(4)25(34)23(22)31(2)3/h5-12H,1-4H3,(H,29,33)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176430
PNG
(CHEMBL201552 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES COCC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O4/c1-13(33)22-24(30-21(34)12-36-3)19-11-18(14-4-6-15(27)7-5-14)23(31-25(19)32(2)26(22)35)17-9-8-16(28)10-20(17)29/h4-11H,12H2,1-3H3,(H,30,34)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176433
PNG
(CHEMBL202201 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)c1c(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H18Cl3N3O4/c1-12(33)21-23(29-20(34)11-32)18-10-17(13-3-5-14(26)6-4-13)22(30-24(18)31(2)25(21)35)16-8-7-15(27)9-19(16)28/h3-10,32H,11H2,1-2H3,(H,29,34)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176435
PNG
(CHEMBL204232 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl3N3O3/c1-12(32)21-23(29-13(2)33)19-11-18(14-4-6-15(26)7-5-14)22(30-24(19)31(3)25(21)34)17-9-8-16(27)10-20(17)28/h4-11H,1-3H3,(H,29,33)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176420
PNG
(CHEMBL202169 | N-(3-acetyl-1-benzyl-6-(4-chlorophe...)
Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176437
PNG
(CHEMBL381677 | N-(6-(4-chlorophenyl)-7-(2,4-dichlo...)
Show SMILES CC(C)c1c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(nc2n(C)c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl3N3O2/c1-13(2)22-24(30-14(3)33)20-12-19(15-5-7-16(27)8-6-15)23(31-25(20)32(4)26(22)34)18-10-9-17(28)11-21(18)29/h5-13H,1-4H3,(H,30,33)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50176424
PNG
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)
Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at the CB2 receptor


Bioorg Med Chem Lett 16: 681-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.028
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%