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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50014277   
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))
BDBM50140221
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C24H23Cl3N4O/c1-14-22(24(32)29-30-12-16-3-2-4-17(16)13-30)28-31(21-10-9-19(26)11-20(21)27)23(14)15-5-7-18(25)8-6-15/h5-11,16-17H,2-4,12-13H2,1H3,(H,29,32)
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140219
PNG
(1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CC3CCCC3C2)c1C#N)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H20Cl3N5O/c25-16-4-7-18(8-5-16)32-21(11-28)22(29-23(32)19-9-6-17(26)10-20(19)27)24(33)30-31-12-14-2-1-3-15(14)13-31/h4-10,14-15H,1-3,12-13H2,(H,30,33)
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9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140222
PNG
(5-Bromo-1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl...)
Show SMILES Clc1ccc(cc1)-n1c(Br)c(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C23H20BrCl3N4O/c24-21-20(23(32)29-30-11-13-2-1-3-14(13)12-30)28-22(18-9-6-16(26)10-19(18)27)31(21)17-7-4-15(25)5-8-17/h4-10,13-14H,1-3,11-12H2,(H,29,32)
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
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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12n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140215
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C23H23Cl3N4O/c1-15-21(23(31)28-29-12-4-2-3-5-13-29)27-30(20-11-10-18(25)14-19(20)26)22(15)16-6-8-17(24)9-7-16/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140232
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C24H23Cl3N4O/c1-14-22(24(32)29-30-12-15-3-2-4-16(15)13-30)28-23(20-10-7-18(26)11-21(20)27)31(14)19-8-5-17(25)6-9-19/h5-11,15-16H,2-4,12-13H2,1H3,(H,29,32)
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140218
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES Clc1ccc(cc1)-n1nc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H22Cl3N5O/c27-18-6-9-21(10-7-18)34-25(22-11-8-19(28)14-23(22)29)31-24(32-34)26(35)30-20-12-13-33(16-20)15-17-4-2-1-3-5-17/h1-11,14,20H,12-13,15-16H2,(H,30,35)
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29n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140216
PNG
(CHEMBL416535 | [5-(4-Chloro-phenyl)-1-(2,4-dichlor...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl3F3N5O/c27-18-6-4-16(5-7-18)24-33-23(34-37(24)22-9-8-19(28)15-21(22)29)25(38)36-12-10-35(11-13-36)20-3-1-2-17(14-20)26(30,31)32/h1-9,14-15H,10-13H2
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32n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140234
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-meth...)
Show SMILES Cc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl4N3O/c1-15-23(25(33)30-13-12-16-2-4-17(26)5-3-16)31-24(21-11-8-19(28)14-22(21)29)32(15)20-9-6-18(27)7-10-20/h2-11,14H,12-13H2,1H3,(H,30,33)
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33n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140233
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CC(C)C(C)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl3N3O/c1-12(2)14(4)26-22(29)20-13(3)21(15-5-7-16(23)8-6-15)28(27-20)19-10-9-17(24)11-18(19)25/h5-12,14H,1-4H3,(H,26,29)
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41n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50114673
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)
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42n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140237
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
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48n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140238
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C23H21Cl3N4O/c24-16-4-7-18(8-5-16)30-13-21(27-22(30)19-9-6-17(25)10-20(19)26)23(31)28-29-11-14-2-1-3-15(14)12-29/h4-10,13-15H,1-3,11-12H2,(H,28,31)
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66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140225
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES CC(NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(n1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl4N4O/c1-13(14-2-4-15(24)5-3-14)28-23(32)21-29-22(19-11-8-17(26)12-20(19)27)31(30-21)18-9-6-16(25)7-10-18/h2-13H,1H3,(H,28,32)
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66n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140223
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c23-15-5-8-17(9-6-15)29-14-20(22(30)27-28-11-3-1-2-4-12-28)26-21(29)18-10-7-16(24)13-19(18)25/h5-10,13-14H,1-4,11-12H2,(H,27,30)
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78n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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85n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140220
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imi...)
Show SMILES Clc1ccc(cc1)-n1cc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C21H19Cl3N4O/c22-14-4-7-16(8-5-14)28-13-19(21(29)26-27-10-2-1-3-11-27)25-20(28)17-9-6-15(23)12-18(17)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
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85n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140230
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C25H19Cl3FN3O/c1-15-23(25(33)30-13-12-16-2-9-20(29)10-3-16)31-32(22-11-8-19(27)14-21(22)28)24(15)17-4-6-18(26)7-5-17/h2-11,14H,12-13H2,1H3,(H,30,33)
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91n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140226
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES CC1CCC(CC1)NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(n1)-c1ccc(Cl)cc1 |(7.1,3.77,;5.63,3.3,;4.49,4.32,;3.03,3.86,;2.71,2.34,;3.85,1.32,;5.31,1.79,;1.26,1.88,;.12,2.89,;.43,4.39,;-1.37,2.41,;-2.61,3.32,;-3.86,2.41,;-5.32,2.89,;-6.46,1.85,;-7.93,2.32,;-8.26,3.83,;-9.75,4.25,;-7.11,4.86,;-5.65,4.39,;-4.55,5.49,;-3.39,.93,;-1.84,.93,;-4.3,-.31,;-3.67,-1.71,;-4.56,-2.96,;-6.11,-2.8,;-6.89,-4.13,;-6.74,-1.38,;-5.83,-.14,)|
Show InChI InChI=1S/C22H21Cl3N4O/c1-13-2-7-16(8-3-13)26-22(30)20-27-21(18-11-6-15(24)12-19(18)25)29(28-20)17-9-4-14(23)5-10-17/h4-6,9-13,16H,2-3,7-8H2,1H3,(H,26,30)
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94n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140224
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES CN(C1CCCCC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)29(2)19-6-4-3-5-7-19)28-30(21-13-12-18(26)14-20(21)27)23(15)16-8-10-17(25)11-9-16/h8-14,19H,3-7H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140229
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES Clc1ccc(cc1)-n1nc(nc1-c1ccc(Cl)cc1Cl)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C24H17Cl3N4O/c25-15-6-9-17(10-7-15)31-23(19-11-8-16(26)13-20(19)27)29-22(30-31)24(32)28-21-12-5-14-3-1-2-4-18(14)21/h1-4,6-11,13,21H,5,12H2,(H,28,32)
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101n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140236
PNG
(1-(4-Chloro-phenyl)-5-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES Clc1ccc(cc1)-n1nc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C22H20Cl3N5O/c23-15-4-7-17(8-5-15)30-21(18-9-6-16(24)10-19(18)25)26-20(27-30)22(31)28-29-11-13-2-1-3-14(13)12-29/h4-10,13-14H,1-3,11-12H2,(H,28,31)
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137n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140228
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,...)
Show SMILES Clc1ccc(cc1)-c1nc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C22H20Cl3N5O/c23-16-6-4-13(5-7-16)21-26-20(27-30(21)19-9-8-17(24)10-18(19)25)22(31)28-29-11-14-2-1-3-15(14)12-29/h4-10,14-15H,1-3,11-12H2,(H,28,31)
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164n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140235
PNG
(5-(4-Chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phen...)
Show SMILES COc1cc(Cl)ccc1-c1nc(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C23H22Cl3N5O2/c1-33-20-10-16(25)5-7-17(20)22-27-21(28-31(22)19-8-6-15(24)9-18(19)26)23(32)29-30-11-13-3-2-4-14(13)12-30/h5-10,13-14H,2-4,11-12H2,1H3,(H,29,32)
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270n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140217
PNG
(5-(4-Chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phen...)
Show SMILES COc1cc(Cl)ccc1-c1nc(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)C
Show InChI InChI=1S/C19H17Cl3N4O2/c1-10(2)23-19(27)17-24-18(13-6-4-12(21)9-16(13)28-3)26(25-17)15-7-5-11(20)8-14(15)22/h4-10H,1-3H3,(H,23,27)
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350n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140227
PNG
(1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethy...)
Show SMILES Clc1ccc(cc1)-n1c(nc(C(=O)NN2CC3CCCC3C2)c1C#C)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H21Cl3N4O/c1-2-22-23(25(33)30-31-13-15-4-3-5-16(15)14-31)29-24(20-11-8-18(27)12-21(20)28)32(22)19-9-6-17(26)7-10-19/h1,6-12,15-16H,3-5,13-14H2,(H,30,33)
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770n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair