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PubMed code 15713403

Compile data set for download or QSAR
Found 40 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))
BDBM50161572
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,27,30)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161569
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-ethy...)
Show SMILES CCn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H24Cl3N3O/c1-2-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31)
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n/an/a 4.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161585
PNG
(4,5-Bis-(2,4-dichloro-phenyl)-1-methyl-1H-imidazol...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-3.45,1.69,;-2.24,1.1,;-.74,2.18,;.54,1.31,;.09,-.17,;-1.45,-.22,;-2.19,-1.57,;-1.4,-2.88,;-2.15,-4.24,;-3.68,-4.27,;-4.45,-5.61,;-4.48,-2.94,;-3.73,-1.59,;-4.52,-.28,;.89,-1.5,;.15,-2.85,;.96,-4.17,;2.5,-4.14,;3.3,-5.46,;3.24,-2.78,;2.43,-1.45,;3.17,-.1,;-.77,3.73,;-2.12,4.47,;.56,4.52,;1.9,3.82,;1.9,5.33,;3.22,6.1,;4.55,5.33,;4.55,3.82,;3.22,3.03,)|
Show InChI InChI=1S/C23H21Cl4N3O/c1-30-21(17-10-8-14(25)12-19(17)27)20(16-9-7-13(24)11-18(16)26)29-22(30)23(31)28-15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,28,31)
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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 against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
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 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161554
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-28-20(14-5-7-15(23)8-6-14)19(17-10-9-16(24)13-18(17)25)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161551
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C24H24Cl3N3O/c1-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-2-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161563
PNG
(4,5-Bis-(2,4-dichloro-phenyl)-1-methyl-1H-imidazol...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-3.44,1.69,;-2.24,1.11,;-.74,2.18,;.52,1.3,;.1,-.17,;-1.46,-.22,;-2.21,-1.57,;-1.39,-2.88,;-2.14,-4.23,;-3.7,-4.25,;-4.45,-5.6,;-4.48,-2.95,;-3.72,-1.59,;-4.52,-.29,;.89,-1.5,;.15,-2.83,;.94,-4.16,;2.5,-4.14,;3.3,-5.44,;3.24,-2.76,;2.43,-1.45,;3.17,-.1,;-.79,3.72,;-2.14,4.47,;.56,4.54,;1.9,3.82,;1.9,5.33,;3.2,6.1,;4.56,5.33,;4.56,3.79,;3.23,3.05,)|
Show InChI InChI=1S/C22H20Cl4N4O/c1-29-20(16-8-6-14(24)12-18(16)26)19(15-7-5-13(23)11-17(15)25)27-21(29)22(31)28-30-9-3-2-4-10-30/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161566
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c1-28-20(13-6-8-14(23)9-7-13)19(17-11-10-15(24)12-18(17)25)27-21(28)22(29)26-16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,26,29)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161582
PNG
(4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1)C(=O)NC1CCCCC1 |(-3.33,1.68,;-2.14,1.1,;-.62,2.17,;.64,1.3,;.21,-.17,;-1.34,-.22,;-2.09,-1.57,;-1.28,-2.88,;-2.03,-4.24,;-3.58,-4.25,;-4.33,-5.62,;-4.38,-2.95,;-3.61,-1.59,;-4.41,-.29,;1.01,-1.52,;2.55,-1.45,;3.34,-2.76,;2.61,-4.13,;3.41,-5.44,;1.06,-4.17,;.26,-2.83,;-.67,3.72,;-2.02,4.47,;.66,4.52,;2.01,3.82,;3.33,3.03,;4.66,3.79,;4.66,5.33,;3.32,6.1,;2.01,5.33,)|
Show InChI InChI=1S/C23H22Cl3N3O/c1-29-21(18-12-11-16(25)13-19(18)26)20(14-7-9-15(24)10-8-14)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(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
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161562
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1
Show InChI InChI=1S/C23H16Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h2-13H,1H3,(H,27,30)
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161583
PNG
(4,5-Bis-(2,4-dichloro-phenyl)-oxazole-2-carboxylic...)
Show SMILES Clc1ccc(-c2nc(oc2-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C22H18Cl4N2O2/c23-12-6-8-15(17(25)10-12)19-20(16-9-7-13(24)11-18(16)26)30-22(28-19)21(29)27-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,27,29)
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161581
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES CN(C1CCCCC1)C(=O)c1nc(c(-c2ccc(Cl)cc2)n1C)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl3N3O/c1-29(18-6-4-3-5-7-18)24(31)23-28-21(19-13-12-17(26)14-20(19)27)22(30(23)2)15-8-10-16(25)11-9-15/h8-14,18H,3-7H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161570
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-oxazol...)
Show SMILES Clc1ccc(cc1)-c1oc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H19Cl3N2O2/c23-14-8-6-13(7-9-14)20-19(17-11-10-15(24)12-18(17)25)27-22(29-20)21(28)26-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,26,28)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161553
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H19Cl3N4O2/c1-27-19(13-2-4-14(22)5-3-13)18(16-7-6-15(23)12-17(16)24)25-20(27)21(29)26-28-8-10-30-11-9-28/h2-7,12H,8-11H2,1H3,(H,26,29)
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161557
PNG
(4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1 |(-3.32,1.67,;-2.13,1.09,;-.62,2.16,;.64,1.29,;.21,-.17,;-1.34,-.22,;-2.08,-1.57,;-1.28,-2.87,;-2.02,-4.23,;-3.57,-4.24,;-4.32,-5.6,;-4.36,-2.94,;-3.6,-1.59,;-4.39,-.29,;1.01,-1.51,;2.54,-1.45,;3.33,-2.75,;2.6,-4.12,;3.4,-5.42,;1.05,-4.16,;.26,-2.82,;-.67,3.71,;-2.01,4.46,;.66,4.51,;2.01,3.81,;3.32,3.02,;4.65,3.78,;4.65,5.32,;3.31,6.08,;2.01,5.32,)|
Show InChI InChI=1S/C22H21Cl3N4O/c1-28-20(17-10-9-16(24)13-18(17)25)19(14-5-7-15(23)8-6-14)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161579
PNG
(4,5-Bis-(2,4-dichloro-phenyl)-oxazole-2-carboxylic...)
Show SMILES Clc1ccc(-c2nc(oc2-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c(Cl)c1
Show InChI InChI=1S/C21H17Cl4N3O2/c22-12-4-6-14(16(24)10-12)18-19(15-7-5-13(23)11-17(15)25)30-21(26-18)20(29)27-28-8-2-1-3-9-28/h4-7,10-11H,1-3,8-9H2,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161565
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-oxazol...)
Show SMILES Clc1ccc(cc1)-c1oc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18Cl3N3O2/c22-14-6-4-13(5-7-14)19-18(16-9-8-15(23)12-17(16)24)25-21(29-19)20(28)26-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11H2,(H,26,28)
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161571
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22Cl2N4O/c1-27-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(27)22(29)26-28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,26,29)
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161556
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O/c1-28-21(16-9-13-18(25)14-10-16)20(15-7-11-17(24)12-8-15)27-22(28)23(29)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,29)
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161555
PNG
(1-Methyl-4,5-di-p-tolyl-1H-imidazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)NN2CCCCC2)n(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H28N4O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)27(3)23(25-21)24(29)26-28-15-5-4-6-16-28/h7-14H,4-6,15-16H2,1-3H3,(H,26,29)
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161578
PNG
(4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-oxazol...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H18Cl3N3O2/c22-14-6-4-13(5-7-14)18-19(16-9-8-15(23)12-17(16)24)29-21(25-18)20(28)26-27-10-2-1-3-11-27/h4-9,12H,1-3,10-11H2,(H,26,28)
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n/an/a 470n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161560
PNG
(4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic aci...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl2N2O2/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)28-22(26-19)21(27)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,27)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161552
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES CCCCCCNC(=O)c1nc(c(-c2ccc(Cl)cc2)n1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2N3O/c1-3-4-5-6-15-26-23(29)22-27-20(16-7-11-18(24)12-8-16)21(28(22)2)17-9-13-19(25)14-10-17/h7-14H,3-6,15H2,1-2H3,(H,26,29)
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161576
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C21H21Cl2N3O/c1-21(2,3)25-20(27)19-24-17(13-5-9-15(22)10-6-13)18(26(19)4)14-7-11-16(23)12-8-14/h5-12H,1-4H3,(H,25,27)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161584
PNG
(1-Methyl-4,5-di-p-tolyl-1H-imidazole-2-carboxylic ...)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)NC2CCCCC2)n(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C25H29N3O/c1-17-9-13-19(14-10-17)22-23(20-15-11-18(2)12-16-20)28(3)24(27-22)25(29)26-21-7-5-4-6-8-21/h9-16,21H,4-8H2,1-3H3,(H,26,29)
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161580
PNG
(4-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-oxazol...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H19Cl3N2O2/c23-14-8-6-13(7-9-14)19-20(17-11-10-15(24)12-18(17)25)29-22(27-19)21(28)26-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,26,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161577
PNG
(CHEMBL180949 | xvx4,5-Bis-(4-chloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3O/c1-26-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(26)22(28)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161568
PNG
(4,5-Bis-(4-chloro-phenyl)-1H-imidazole-2-carboxyli...)
Show SMILES Clc1ccc(cc1)-c1nc([nH]c1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H21Cl2N3O/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)27-21(26-19)22(28)25-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H,25,28)(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161575
PNG
(1-Methyl-4,5-diphenyl-1H-imidazole-2-carboxylic ac...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H25N3O/c1-26-21(18-13-7-3-8-14-18)20(17-11-5-2-6-12-17)25-22(26)23(27)24-19-15-9-4-10-16-19/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3,(H,24,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161567
PNG
(1-Methyl-4,5-diphenyl-1H-imidazole-2-carboxylic ac...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H24N4O/c1-25-20(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)23-21(25)22(27)24-26-15-9-4-10-16-26/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161574
PNG
(4,5-Bis-(4-chloro-phenyl)-oxazole-2-carboxylic aci...)
Show SMILES Clc1ccc(cc1)-c1nc(oc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl2N3O2/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)28-21(24-18)20(27)25-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,25,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161558
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H20Cl2N4O2/c1-26-19(15-4-8-17(23)9-5-15)18(14-2-6-16(22)7-3-14)24-20(26)21(28)25-27-10-12-29-13-11-27/h2-9H,10-13H2,1H3,(H,25,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161573
PNG
((1-Methyl-4,5-di-p-tolyl-1H-imidazol-2-yl)-piperid...)
Show SMILES Cc1ccc(cc1)-c1nc(C(=O)N2CCCCC2)n(C)c1-c1ccc(C)cc1
Show InChI InChI=1S/C24H27N3O/c1-17-7-11-19(12-8-17)21-22(20-13-9-18(2)10-14-20)26(3)23(25-21)24(28)27-15-5-4-6-16-27/h7-14H,4-6,15-16H2,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161561
PNG
(4,5-Bis-(4-chloro-phenyl)-1H-imidazole-2-carboxyli...)
Show SMILES Clc1ccc(cc1)-c1nc([nH]c1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H20Cl2N4O/c22-16-8-4-14(5-9-16)18-19(15-6-10-17(23)11-7-15)25-20(24-18)21(28)26-27-12-2-1-3-13-27/h4-11H,1-3,12-13H2,(H,24,25)(H,26,28)
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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 against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161559
PNG
(1-(4,5-Diphenyl-1H-imidazol-2-ylsulfanyl)-1-phenyl...)
Show SMILES CC(=O)C(Sc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2OS/c1-17(27)23(20-15-9-4-10-16-20)28-24-25-21(18-11-5-2-6-12-18)22(26-24)19-13-7-3-8-14-19/h2-16,23H,1H3,(H,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161564
PNG
((1-Methyl-4,5-diphenyl-1H-imidazol-2-yl)-piperidin...)
Show SMILES Cn1c(nc(c1-c1ccccc1)-c1ccccc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H23N3O/c1-24-20(18-13-7-3-8-14-18)19(17-11-5-2-6-12-17)23-21(24)22(26)25-15-9-4-10-16-25/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161556
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H23Cl2N3O/c1-28-21(16-9-13-18(25)14-10-16)20(15-7-11-17(24)12-8-15)27-22(28)23(29)26-19-5-3-2-4-6-19/h7-14,19H,2-6H2,1H3,(H,26,29)
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161572
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,27,30)
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161554
PNG
(5-(4-Chloro-phenyl)-4-(2,4-dichloro-phenyl)-1-meth...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-28-20(14-5-7-15(23)8-6-14)19(17-10-9-16(24)13-18(17)25)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50161571
PNG
(4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-...)
Show SMILES Cn1c(nc(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H22Cl2N4O/c1-27-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(27)22(29)26-28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,26,29)
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human recombinant cannabinoid receptor type 1 expressed in Chinese Hamster Ovary (CHO) cells


Bioorg Med Chem Lett 15: 1441-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.078
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%