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PubMed code 15664830

Compile data set for download or QSAR
Found 64 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))
BDBM50160115
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160137
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H21Cl3N2O2/c1-2-31-26(33)23-15-22(18-8-10-19(28)11-9-18)25(21-13-12-20(29)14-24(21)30)32-27(23)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,31,33)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160131
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES FCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H18Cl3F3N2O2/c28-17-4-2-16(3-5-17)20-13-21(26(36)34-10-9-31)27(37-14-15-1-8-23(32)24(33)11-15)35-25(20)19-7-6-18(29)12-22(19)30/h1-8,11-13H,9-10,14H2,(H,34,36)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160095
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-2-11-34-27(36)22-14-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)13-23(20)31)35-28(22)37-15-16-3-10-24(32)25(33)12-16/h3-10,12-14H,2,11,15H2,1H3,(H,34,36)
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n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160143
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,5...)
Show SMILES Fc1cc(F)cc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-3-1-15(2-4-17)22-9-16(12-31)25(33-13-14-7-19(29)11-20(30)8-14)32-24(22)21-6-5-18(27)10-23(21)28/h1-11H,13H2
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160132
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-15(2)34-27(36)22-13-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)12-23(20)31)35-28(22)37-14-16-3-10-24(32)25(33)11-16/h3-13,15H,14H2,1-2H3,(H,34,36)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160097
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160145
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)OC)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3NO3/c1-3-4-11-30-22-19(23(28)29-2)13-18(14-5-7-15(24)8-6-14)21(27-22)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160103
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(2,4...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-1-14(2-5-17)21-9-16(12-31)25(33-13-15-3-7-19(29)11-23(15)30)32-24(21)20-8-6-18(27)10-22(20)28/h1-11H,13H2
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n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160136
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H24Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160099
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(4-f...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H14Cl3FN2O/c26-18-5-3-16(4-6-18)22-11-17(13-30)25(32-14-15-1-8-20(29)9-2-15)31-24(22)21-10-7-19(27)12-23(21)28/h1-12H,14H2
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160125
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H17Cl3F2N2O2/c1-32-25(34)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)33-26(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3,(H,32,34)
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160108
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(4-t...)
Show SMILES FC(F)(F)c1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H14Cl3F3N2O/c27-19-7-3-16(4-8-19)22-11-17(13-33)25(34-24(22)21-10-9-20(28)12-23(21)29)35-14-15-1-5-18(6-2-15)26(30,31)32/h1-12H,14H2
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160117
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h7-14,16H,2-6,15H2,1H3,(H,30,32)
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160113
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H18Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160092
PNG
(5-(4-Chloro-phenyl)-2-cyclohexylmethoxy-6-(2,4-dic...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCC1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H29Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h8-13,15-16,18H,2-7,14,17H2,1H3,(H,32,34)
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n/an/a 5.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160133
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N2O2/c1-2-14-32-27(34)24-16-23(19-8-10-20(29)11-9-19)26(22-13-12-21(30)15-25(22)31)33-28(24)35-17-18-6-4-3-5-7-18/h3-13,15-16H,2,14,17H2,1H3,(H,32,34)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160112
PNG
(6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...)
Show SMILES Cc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H16Cl2F2N2O/c1-15-2-5-17(6-3-15)21-11-18(13-31)26(33-14-16-4-9-23(29)24(30)10-16)32-25(21)20-8-7-19(27)12-22(20)28/h2-12H,14H2,1H3
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n/an/a 6.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160127
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3N2O2/c1-30-25(32)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)31-26(22)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,30,32)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160128
PNG
(6-(2,4-Dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)...)
Show SMILES Fc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H13Cl2F3N2O/c26-17-4-7-19(21(27)11-17)24-20(15-2-5-18(28)6-3-15)10-16(12-31)25(32-24)33-13-14-1-8-22(29)23(30)9-14/h1-11H,13H2
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n/an/a 7.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160138
PNG
(2-(3,4-difluorobenzyloxy)-6-(2-chlorophenyl)-5-(4-...)
Show SMILES Fc1ccc(COc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H14Cl2F2N2O/c26-18-8-6-16(7-9-18)20-12-17(13-30)25(31-24(20)19-3-1-2-4-21(19)27)32-14-15-5-10-22(28)23(29)11-15/h1-12H,14H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160107
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31-15-16-4-2-1-3-5-16)30-24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160111
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)NC)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21Cl3N2O2/c1-3-4-11-30-23-19(22(29)27-2)13-18(14-5-7-15(24)8-6-14)21(28-23)17-10-9-16(25)12-20(17)26/h5-10,12-13H,3-4,11H2,1-2H3,(H,27,29)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160121
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H17Cl3N2O2/c26-17-8-6-16(7-9-17)20-13-21(24(29)31)25(32-14-15-4-2-1-3-5-15)30-23(20)19-11-10-18(27)12-22(19)28/h1-13H,14H2,(H2,29,31)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160122
PNG
(5,6-Bis-(4-chloro-phenyl)-2-(3,4-difluoro-benzylox...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H14Cl2F2N2O/c26-19-6-2-16(3-7-19)21-12-18(13-30)25(31-24(21)17-4-8-20(27)9-5-17)32-14-15-1-10-22(28)23(29)11-15/h1-12H,14H2
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160129
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-N-cyclopentyl-6-(2...)
Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NC2CCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H25Cl3N2O2/c31-21-12-10-20(11-13-21)25-17-26(29(36)34-23-8-4-5-9-23)30(37-18-19-6-2-1-3-7-19)35-28(25)24-15-14-22(32)16-27(24)33/h1-3,6-7,10-17,23H,4-5,8-9,18H2,(H,34,36)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160124
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(=O)NCCC)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25Cl3N2O2/c1-3-5-13-32-25-21(24(31)29-12-4-2)15-20(16-6-8-17(26)9-7-16)23(30-25)19-11-10-18(27)14-22(19)28/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160098
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H21Cl3N2O2/c1-32(2)27(33)23-15-22(18-8-10-19(28)11-9-18)25(21-13-12-20(29)14-24(21)30)31-26(23)34-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160116
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H17Cl3N2O/c26-18-8-6-17(7-9-18)20-12-13-23(25(31)29-15-16-4-2-1-3-5-16)30-24(20)21-11-10-19(27)14-22(21)28/h1-14H,15H2,(H,29,31)
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160106
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES CCCC(CCC)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H25Cl3N2O/c1-3-5-19(6-4-2)29-25(31)23-14-13-20(16-7-9-17(26)10-8-16)24(30-23)21-12-11-18(27)15-22(21)28/h7-15,19H,3-6H2,1-2H3,(H,29,31)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160105
PNG
(2-Butoxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(cc1C(N)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl3N2O2/c1-2-3-10-29-22-18(21(26)28)12-17(13-4-6-14(23)7-5-13)20(27-22)16-9-8-15(24)11-19(16)25/h4-9,11-12H,2-3,10H2,1H3,(H2,26,28)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160109
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C25H23Cl3N2O/c26-17-9-7-16(8-10-17)20-13-14-23(25(31)29-19-5-3-1-2-4-6-19)30-24(20)21-12-11-18(27)15-22(21)28/h7-15,19H,1-6H2,(H,29,31)
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160135
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NN2CCCCC2)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H26Cl3N3O2/c31-22-11-9-21(10-12-22)25-18-26(29(37)35-36-15-5-2-6-16-36)30(38-19-20-7-3-1-4-8-20)34-28(25)24-14-13-23(32)17-27(24)33/h1,3-4,7-14,17-18H,2,5-6,15-16,19H2,(H,35,37)
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160104
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES CCCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2O/c1-2-3-4-5-14-28-24(30)22-13-12-19(16-6-8-17(25)9-7-16)23(29-22)20-11-10-18(26)15-21(20)27/h6-13,15H,2-5,14H2,1H3,(H,28,30)
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160119
PNG
(2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Cl)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H16Cl4N2O/c1-2-9-26-21(28)17-11-16(12-3-5-13(22)6-4-12)19(27-20(17)25)15-8-7-14(23)10-18(15)24/h3-8,10-11H,2,9H2,1H3,(H,26,28)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160120
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H19Cl3N2O/c24-15-7-5-14(6-8-15)18-11-12-21(23(29)27-17-3-1-2-4-17)28-22(18)19-10-9-16(25)13-20(19)26/h5-13,17H,1-4H2,(H,27,29)
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160118
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H20Cl3N3O/c24-16-6-4-15(5-7-16)18-10-11-21(23(30)28-29-12-2-1-3-13-29)27-22(18)19-9-8-17(25)14-20(19)26/h4-11,14H,1-3,12-13H2,(H,28,30)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160144
PNG
(2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CCCCCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Cl)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H22Cl4N2O/c1-2-3-4-5-12-29-24(31)20-14-19(15-6-8-16(25)9-7-15)22(30-23(20)28)18-11-10-17(26)13-21(18)27/h6-11,13-14H,2-5,12H2,1H3,(H,29,31)
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n/an/a 58n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160102
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-hexy...)
Show SMILES CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23Cl3N2O/c1-2-3-4-5-12-28-24(30)17-13-21(16-6-8-18(25)9-7-16)23(29-15-17)20-11-10-19(26)14-22(20)27/h6-11,13-15H,2-5,12H2,1H3,(H,28,30)
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160094
PNG
(2-(3,4-Difluoro-benzyloxy)-6-(2,4-difluoro-phenyl)...)
Show SMILES Fc1ccc(cc1)-c1cc(C#N)c(OCc2ccc(F)c(F)c2)nc1-c1ccc(F)cc1F
Show InChI InChI=1S/C25H13F5N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-21(28)23(30)9-14)32-24(20)19-7-6-18(27)11-22(19)29/h1-11H,13H2
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n/an/a 66n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160114
PNG
(2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...)
Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N
Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Maximal response (3000 nM) at human cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160123
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H21Cl3N2O/c25-16-8-6-15(7-9-16)19-12-13-22(24(30)28-18-4-2-1-3-5-18)29-23(19)20-11-10-17(26)14-21(20)27/h6-14,18H,1-5H2,(H,28,30)
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n/an/a 95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160096
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-pyridi...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H15Cl3N2O/c25-16-8-6-15(7-9-16)19-12-13-22(24(30)28-18-4-2-1-3-5-18)29-23(19)20-11-10-17(26)14-21(20)27/h1-14H,(H,28,30)
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160141
PNG
(5-(4-Chloro-phenyl)-N-cyclohexyl-6-(2,4-dichloro-p...)
Show SMILES Clc1ccc(cc1)-c1cc(cnc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H21Cl3N2O/c25-17-8-6-15(7-9-17)21-12-16(24(30)29-19-4-2-1-3-5-19)14-28-23(21)20-11-10-18(26)13-22(20)27/h6-14,19H,1-5H2,(H,29,30)
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n/an/a 210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160134
PNG
(CHEMBL180507 | [5-(4-Chloro-phenyl)-6-(2,4-dichlor...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1-c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H19Cl3N2O/c24-16-6-4-15(5-7-16)18-10-11-21(23(29)28-12-2-1-3-13-28)27-22(18)19-9-8-17(25)14-20(19)26/h4-11,14H,1-3,12-13H2
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160140
PNG
(2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES Clc1ccc(cc1)-c1cc(C(=O)NN2CCCCC2)c(Cl)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl4N3O/c24-15-6-4-14(5-7-15)18-13-19(23(31)29-30-10-2-1-3-11-30)22(27)28-21(18)17-9-8-16(25)12-20(17)26/h4-9,12-13H,1-3,10-11H2,(H,29,31)
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160142
PNG
(CHEMBL180154 | [5-(4-Chloro-phenyl)-6-(2,4-dichlor...)
Show SMILES Clc1ccc(cc1)-c1cc(cnc1-c1ccc(Cl)cc1Cl)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H19Cl3N2O/c24-17-6-4-15(5-7-17)20-12-16(23(29)28-10-2-1-3-11-28)14-27-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-14H,1-3,10-11H2
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160110
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-N-pipe...)
Show SMILES Clc1ccc(cc1)-c1cc(cnc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H20Cl3N3O/c24-17-6-4-15(5-7-17)20-12-16(23(30)28-29-10-2-1-3-11-29)14-27-22(20)19-9-8-18(25)13-21(19)26/h4-9,12-14H,1-3,10-11H2,(H,28,30)
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n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 2 (hCB2)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160126
PNG
(2-Benzyloxy-6-(4-dimethylamino-phenyl)-5-(4-methox...)
Show SMILES COc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C28H25N3O2/c1-31(2)24-13-9-22(10-14-24)27-26(21-11-15-25(32-3)16-12-21)17-23(18-29)28(30-27)33-19-20-7-5-4-6-8-20/h4-17H,19H2,1-3H3
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n/an/a 530n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160095
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-2-11-34-27(36)22-14-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)13-23(20)31)35-28(22)37-15-16-3-10-24(32)25(33)12-16/h3-10,12-14H,2,11,15H2,1H3,(H,34,36)
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n/an/a 815n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 2 (hCB2)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160097
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
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n/an/a 820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 2 (hCB2)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160093
PNG
(2-Chloro-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(nc1Cl)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H14Cl4N2O/c1-26(2)20(27)16-10-15(11-3-5-12(21)6-4-11)18(25-19(16)24)14-8-7-13(22)9-17(14)23/h3-10H,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
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50160107
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31-15-16-4-2-1-3-5-16)30-24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2
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n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 2 (hCB2)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160130
PNG
(1-Benzyl-5-(4-chloro-phenyl)-6-(2,4-dichloro-pheny...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(=O)n(Cc2ccccc2)c1-c1ccc(Cl)cc1Cl |(-6.98,-2.28,;-5.65,-1.5,;-5.65,.04,;-4.32,.8,;-2.97,.04,;-2.97,-1.5,;-4.3,-2.28,;-1.64,.8,;-1.64,2.35,;-.3,3.11,;-.3,4.67,;-.32,6.21,;1.04,2.35,;2.37,3.13,;1.04,.8,;2.37,.04,;3.7,.8,;3.7,2.35,;5.03,3.11,;6.37,2.35,;6.37,.8,;5.03,.04,;-.3,.04,;-.3,-1.5,;-1.64,-2.28,;-1.64,-3.82,;-.3,-4.59,;-.3,-6.13,;1.04,-3.82,;1.04,-2.28,;2.37,-1.5,)|
Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31)30(15-16-4-2-1-3-5-16)24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160114
PNG
(2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...)
Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N
Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160101
PNG
(1-Benzyl-6-(4-chloro-phenyl)-2-oxo-5-phenyl-1,2-di...)
Show SMILES Clc1ccc(cc1)-c1c(cc(C#N)c(=O)n1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(29)28(24)17-18-7-3-1-4-8-18/h1-15H,17H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160097
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H19Cl3F2N2O2/c1-2-33-26(35)21-13-20(16-4-6-17(28)7-5-16)25(19-9-8-18(29)12-22(19)30)34-27(21)36-14-15-3-10-23(31)24(32)11-15/h3-13H,2,14H2,1H3,(H,33,35)
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160095
PNG
(5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...)
Show SMILES CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H21Cl3F2N2O2/c1-2-11-34-27(36)22-14-21(17-4-6-18(29)7-5-17)26(20-9-8-19(30)13-23(20)31)35-28(22)37-15-16-3-10-24(32)25(33)12-16/h3-10,12-14H,2,11,15H2,1H3,(H,34,36)
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160137
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES CCNC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H21Cl3N2O2/c1-2-31-26(33)23-15-22(18-8-10-19(28)11-9-18)25(21-13-12-20(29)14-24(21)30)32-27(23)34-16-17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,31,33)
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160100
PNG
(2-(3,4-difluorobenzyloxy)-5-(4-chlorophenyl)-6-(2,...)
Show SMILES Fc1ccc(COc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C25H13Cl3F2N2O/c26-17-4-2-15(3-5-17)20-10-16(12-31)25(33-13-14-1-8-22(29)23(30)9-14)32-24(20)19-7-6-18(27)11-21(19)28/h1-11H,13H2
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n/an/an/an/a 8n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50160107
PNG
(2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(cc1)-c1cc(C#N)c(OCc2ccccc2)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H15Cl3N2O/c26-19-8-6-17(7-9-19)22-12-18(14-29)25(31-15-16-4-2-1-3-5-16)30-24(22)21-11-10-20(27)13-23(21)28/h1-13H,15H2
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Cannabinoid receptor 1 (hCB1)


Bioorg Med Chem Lett 15: 645-51 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%