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PubMed code 20483606

Compile data set for download or QSAR
Found 71 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))
BDBM50320187
PNG
((2R)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320184
PNG
(CHEMBL1086494 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES OCC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33)
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50200841
PNG
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)
Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320186
PNG
((2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320185
PNG
(CHEMBL1085566 | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOR...)
Show SMILES CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34)
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n/an/a 0.700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320183
PNG
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(H,30,32)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320174
PNG
(CHEMBL1083014 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N2O3/c1-24(2)11-20(28-21(31)12-30)18-10-17(13-3-5-14(25)6-4-13)22(29-23(18)32-24)16-8-7-15(26)9-19(16)27/h3-10,20,30H,11-12H2,1-2H3,(H,28,31)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320198
PNG
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320176
PNG
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320181
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1...)
Show SMILES C[C@@H](O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)/t14-,21?/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320197
PNG
(CHEMBL1086013 | rac-2-tert-butyl-7-(2-chlorophenyl...)
Show SMILES CC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320175
PNG
(CHEMBL1083016 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC(C)(CO)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)25(34)31-22-13-27(3,4)35-24-20(22)12-19(15-5-7-16(28)8-6-15)23(32-24)18-10-9-17(29)11-21(18)30/h5-12,22,33H,13-14H2,1-4H3,(H,31,34)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320177
PNG
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)
Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320196
PNG
(CHEMBL1086012 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES CC(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2NO2/c1-13(2)21-12-20(27)18-11-17(14-7-9-15(24)10-8-14)22(26-23(18)28-21)16-5-3-4-6-19(16)25/h3-11,13,21H,12H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320180
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)
Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
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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 to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320191
PNG
(CHEMBL1084038 | N-(5-(4-chlorophenyl)-6-(2,4-dichl...)
Show SMILES CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl3N2O5/c1-25(2,34)23(33)22-21(29-19(32)11-31)17-10-16(12-3-5-13(26)6-4-12)20(30-24(17)35-22)15-8-7-14(27)9-18(15)28/h3-10,31,34H,11H2,1-2H3,(H,29,32)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320201
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2',3',5',6'-...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCSCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-30-12-10-24)29-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
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n/an/a 4.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
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 to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320200
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320179
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYD...)
Show SMILES CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)32-24(34)21-13-27(3,4)35-25-20(21)12-19(15-5-7-16(28)8-6-15)23(31-25)18-10-9-17(29)11-22(18)30/h5-12,21,33H,13-14H2,1-4H3,(H,32,34)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320202
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydros...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-32(29,30)12-10-24)31-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320194
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-diethyl-...)
Show SMILES CCC1(CC)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2NO2/c1-3-24(4-2)14-21(28)19-13-18(15-9-11-16(25)12-10-15)22(27-23(19)29-24)17-7-5-6-8-20(17)26/h5-13H,3-4,14H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320190
PNG
(CHEMBL1085259 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES COC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)12-20(28-3)18-11-17(13-4-6-14(24)7-5-13)21(27-22(18)29-23)16-9-8-15(25)10-19(16)26/h4-11,20H,12H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320195
PNG
(CHEMBL1084471 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES CC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320199
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50320180
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)
Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320173
PNG
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
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n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320192
PNG
(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dime...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3
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n/an/a 47n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320189
PNG
(CHEMBL1083000 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3NO2/c1-22(2)12-23(3,28)18-11-17(13-4-6-14(24)7-5-13)20(27-21(18)29-22)16-9-8-15(25)10-19(16)26/h4-11,28H,12H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320178
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIME...)
Show SMILES CC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29)
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n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320172
PNG
(CHEMBL1085260 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N2O/c1-22(2)11-19(26)17-10-16(12-3-5-13(23)6-4-12)20(27-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19H,11,26H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50320177
PNG
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)
Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320193
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320188
PNG
(CHEMBL1085732 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19,27H,11H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50320176
PNG
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320175
PNG
(CHEMBL1083016 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC(C)(CO)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)25(34)31-22-13-27(3,4)35-24-20(22)12-19(15-5-7-16(28)8-6-15)23(32-24)18-10-9-17(29)11-21(18)30/h5-12,22,33H,13-14H2,1-4H3,(H,31,34)
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n/an/a 570n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320182
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)
Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320180
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(HYDRO...)
Show SMILES CN1c2nc(-c3ccc(Cl)cc3Cl)c(cc2C(CC1(C)C)C(=O)NCO)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
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n/an/a 801n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320181
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-((R)-1...)
Show SMILES C[C@@H](O)NC(=O)C1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26Cl3N3O2/c1-14(33)30-25(34)21-13-26(2,3)32(4)24-20(21)12-19(15-5-7-16(27)8-6-15)23(31-24)18-10-9-17(28)11-22(18)29/h5-12,14,21,33H,13H2,1-4H3,(H,30,34)/t14-,21?/m1/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320192
PNG
(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dime...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H16Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10H,11H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320186
PNG
((2S)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m0/s1
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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 to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320182
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)-1-methylsp...)
Show SMILES CN1CCC2(CC1)CC(=O)c1cc(-c3ccc(Cl)cc3)c(nc1O2)-c1ccccc1Cl
Show InChI InChI=1S/C25H22Cl2N2O2/c1-29-12-10-25(11-13-29)15-22(30)20-14-19(16-6-8-17(26)9-7-16)23(28-24(20)31-25)18-4-2-3-5-21(18)27/h2-9,14H,10-13,15H2,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320173
PNG
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320198
PNG
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 2.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320193
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl...)
Show SMILES CC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C22H17Cl2NO2/c1-22(2)12-19(26)17-11-16(13-7-9-14(23)10-8-13)20(25-21(17)27-22)15-5-3-4-6-18(15)24/h3-11H,12H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320176
PNG
(CHEMBL1083025 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CCO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl3N2O3/c1-25(2)13-21(29-22(32)9-10-31)19-12-18(14-3-5-15(26)6-4-14)23(30-24(19)33-25)17-8-7-16(27)11-20(17)28/h3-8,11-12,21,31H,9-10,13H2,1-2H3,(H,29,32)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320178
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIME...)
Show SMILES CC1(C)CC(C(N)=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl3N2O2/c1-23(2)11-18(21(27)29)17-10-16(12-3-5-13(24)6-4-12)20(28-22(17)30-23)15-8-7-14(25)9-19(15)26/h3-10,18H,11H2,1-2H3,(H2,27,29)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320189
PNG
(CHEMBL1083000 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(C)(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3NO2/c1-22(2)12-23(3,28)18-11-17(13-4-6-14(24)7-5-13)20(27-21(18)29-22)16-9-8-15(25)10-19(16)26/h4-11,28H,12H2,1-3H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320199
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320185
PNG
(CHEMBL1085566 | N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOR...)
Show SMILES CC(C)(O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H30Cl2N2O3/c1-28(2,35)27(34)32-24-17-29(14-6-3-7-15-29)36-26-22(24)16-21(18-10-12-19(30)13-11-18)25(33-26)20-8-4-5-9-23(20)31/h4-5,8-13,16,24,35H,3,6-7,14-15,17H2,1-2H3,(H,32,34)
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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 to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320196
PNG
(CHEMBL1086012 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES CC(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C23H19Cl2NO2/c1-13(2)21-12-20(27)18-11-17(14-7-9-15(24)10-8-14)22(26-23(18)28-21)16-5-3-4-6-19(16)25/h3-11,13,21H,12H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320197
PNG
(CHEMBL1086013 | rac-2-tert-butyl-7-(2-chlorophenyl...)
Show SMILES CC(C)(C)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2NO2/c1-24(2,3)21-13-20(28)18-12-17(14-8-10-15(25)11-9-14)22(27-23(18)29-21)16-6-4-5-7-19(16)26/h4-12,21H,13H2,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320187
PNG
((2R)-N-(7'-(2-CHLOROPHENYL)-6'-(4-CHLOROPHENYL)-3'...)
Show SMILES C[C@@H](O)C(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H28Cl2N2O3/c1-17(33)26(34)31-24-16-28(13-5-2-6-14-28)35-27-22(24)15-21(18-9-11-19(29)12-10-18)25(32-27)20-7-3-4-8-23(20)30/h3-4,7-12,15,17,24,33H,2,5-6,13-14,16H2,1H3,(H,31,34)/t17-,24?/m1/s1
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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 to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320190
PNG
(CHEMBL1085259 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES COC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO2/c1-23(2)12-20(28-3)18-11-17(13-4-6-14(24)7-5-13)21(27-22(18)29-23)16-9-8-15(25)10-19(16)26/h4-11,20H,12H2,1-3H3
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n/an/a 3.79E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320183
PNG
(CHEMBL1086493 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES CC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c1-17(32)30-24-16-27(13-5-2-6-14-27)33-26-22(24)15-21(18-9-11-19(28)12-10-18)25(31-26)20-7-3-4-8-23(20)29/h3-4,7-12,15,24H,2,5-6,13-14,16H2,1H3,(H,30,32)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320202
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydros...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-32(29,30)12-10-24)31-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
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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 to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320194
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-diethyl-...)
Show SMILES CCC1(CC)CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H21Cl2NO2/c1-3-24(4-2)14-21(28)19-13-18(15-9-11-16(25)12-10-15)22(27-23(19)29-24)17-7-5-6-8-20(17)26/h5-13H,3-4,14H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320184
PNG
(CHEMBL1086494 | rac-N-(7'-(2-chlorophenyl)-6'-(4-c...)
Show SMILES OCC(=O)NC1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O3/c28-18-10-8-17(9-11-18)20-14-21-23(30-24(33)16-32)15-27(12-4-1-5-13-27)34-26(21)31-25(20)19-6-2-3-7-22(19)29/h2-3,6-11,14,23,32H,1,4-5,12-13,15-16H2,(H,30,33)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320177
PNG
((2R)-N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-...)
Show SMILES C[C@@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m1/s1
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n/an/a 4.75E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320174
PNG
(CHEMBL1083014 | N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHL...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl3N2O3/c1-24(2)11-20(28-21(31)12-30)18-10-17(13-3-5-14(25)6-4-13)22(29-23(18)32-24)16-8-7-15(26)9-19(16)27/h3-10,20,30H,11-12H2,1-2H3,(H,28,31)
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n/an/a 4.78E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320188
PNG
(CHEMBL1085732 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3NO2/c1-22(2)11-19(27)17-10-16(12-3-5-13(23)6-4-12)20(26-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19,27H,11H2,1-2H3
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n/an/a 4.95E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320179
PNG
(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYD...)
Show SMILES CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27Cl3N2O3/c1-26(2,14-33)32-24(34)21-13-27(3,4)35-25-20(21)12-19(15-5-7-16(28)8-6-15)23(31-25)18-10-9-17(29)11-22(18)30/h5-12,21,33H,13-14H2,1-4H3,(H,32,34)
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n/an/a 5.15E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50316514
PNG
((2R)-N-[6-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-...)
Show SMILES C[C@H](O)C(=O)NC1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23Cl3N2O3/c1-13(31)23(32)29-21-12-25(2,3)33-24-19(21)11-18(14-4-6-15(26)7-5-14)22(30-24)17-9-8-16(27)10-20(17)28/h4-11,13,21,31H,12H2,1-3H3,(H,29,32)/t13-,21?/m0/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320195
PNG
(CHEMBL1084471 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES CC1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C21H15Cl2NO2/c1-12-10-19(25)17-11-16(13-6-8-14(22)9-7-13)20(24-21(17)26-12)15-4-2-3-5-18(15)23/h2-9,11-12H,10H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320172
PNG
(CHEMBL1085260 | rac-6-(4-chlorophenyl)-7-(2,4-dich...)
Show SMILES CC1(C)CC(N)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N2O/c1-22(2)11-19(26)17-10-16(12-3-5-13(23)6-4-12)20(27-21(17)28-22)15-8-7-14(24)9-18(15)25/h3-10,19H,11,26H2,1-2H3
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n/an/a 7.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320201
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2',3',5',6'-...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCSCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO2S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-30-12-10-24)29-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50320200
PNG
(7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
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n/an/a 8.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.071
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%