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Compile Data Set for Download or QSAR

Found 741 hits with Last Name = 'pani' and Initial = 'l'   
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


(Mus musculus (Mouse))		BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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 0.000350n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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 0.00100n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176989
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-6-8-17-14(12-15)4-3-5-18-21(23(31)28-29-10-1-2-11-29)27-30(22(17)18)20-9-7-16(25)13-19(20)26/h6-9,12-13H,1-5,10-11H2,(H,28,31)
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 0.00400n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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 0.00520n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176986
PNG
(8-bromo-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Br)ccc3-c12
Show InChI InChI=1S/C24H23BrCl2N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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 0.00800n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176990
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methoxylphen...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O2/c1-34-19-9-7-18(8-10-19)30-26(33)24-21-4-2-3-15-13-16(27)5-11-20(15)25(21)32(31-24)23-12-6-17(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
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 0.0130n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50200169
PNG
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
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 0.0400n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176987
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-pyrrolidin-1-y...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C24H24Cl2N4O/c1-15-7-9-18-16(13-15)5-4-6-19-22(24(31)28-29-11-2-3-12-29)27-30(23(18)19)21-10-8-17(25)14-20(21)26/h7-10,13-14H,2-6,11-12H2,1H3,(H,28,31)
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 0.110n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50392759
PNG
(CHEMBL2151157)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C1CCN(CC1)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3
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 0.126n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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 0.280n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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 0.300n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
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 0.340n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176977
PNG
(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
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 0.340n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176979
PNG
(8-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc2-c3c(CCCc2c1)c(nn3-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C25H26Cl2N4O/c1-16-8-10-19-17(14-16)6-5-7-20-23(25(32)29-30-12-3-2-4-13-30)28-31(24(19)20)22-11-9-18(26)15-21(22)27/h8-11,14-15H,2-7,12-13H2,1H3,(H,29,32)
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 0.460n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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 0.631n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176976
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-cyclohexyl-1,4...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NC2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H24Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h9-14,18H,1-8H2,(H,29,32)
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 0.650n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176985
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
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 1.45n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50072775
PNG
(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r|
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cannabinoid receptor 1


(Mus musculus (Mouse))		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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 1.80n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176980
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-homopiperidin-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-5-7-20-23(25(33)30-31-12-3-1-2-4-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
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 2n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176981
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-chlorophenyl...)
Show SMILES Clc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H17Cl4N3O/c26-15-4-8-18(9-5-15)30-25(33)23-20-3-1-2-14-12-16(27)6-10-19(14)24(20)32(31-23)22-11-7-17(28)13-21(22)29/h4-13H,1-3H2,(H,30,33)
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 2.5n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176985
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-phenyl-1,4,5,6...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccccc2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H18Cl3N3O/c26-16-9-11-19-15(13-16)5-4-8-20-23(25(32)29-18-6-2-1-3-7-18)30-31(24(19)20)22-12-10-17(27)14-21(22)28/h1-3,6-7,9-14H,4-5,8H2,(H,29,32)
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 4.35n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209498
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(1Hind...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2Cc1cc2ccccc2[nH]1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14|
Show InChI InChI=1S/C29H29F2N3O/c30-23-9-5-20(6-10-23)29(21-7-11-24(31)12-8-21)35-14-13-33-18-26-16-27(19-33)34(26)17-25-15-22-3-1-2-4-28(22)32-25/h1-12,15,26-27,29,32H,13-14,16-19H2
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 5.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176991
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-p-methylphenyl...)
Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2CCCc2cc(Cl)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H20Cl3N3O/c1-15-5-9-19(10-6-15)30-26(33)24-21-4-2-3-16-13-17(27)7-11-20(16)25(21)32(31-24)23-12-8-18(28)14-22(23)29/h5-14H,2-4H2,1H3,(H,30,33)
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 5.74n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209493
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[3-(2-m...)
Show SMILES Cc1ccccc1\C=C\CN1C2CC1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |w:11.38,13.15,TLB:9:10:15.34.14:12,THB:16:15:10:12|
Show InChI InChI=1S/C30H32F2N2O/c1-22-5-2-3-6-23(22)7-4-16-34-28-19-29(34)21-33(20-28)17-18-35-30(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h2-15,28-30H,16-21H2,1H3/b7-4+
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 6.30n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209495
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(1Hind...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2CC1=Cc2ccccc2C1)c1ccc(F)cc1 |w:13.13,15.16,t:22,TLB:10:11:17:14|
Show InChI InChI=1S/C30H30F2N2O/c31-26-9-5-22(6-10-26)30(23-7-11-27(32)12-8-23)35-14-13-33-19-28-17-29(20-33)34(28)18-21-15-24-3-1-2-4-25(24)16-21/h1-12,15,28-30H,13-14,16-20H2
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 6.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026359
PNG
(CHEMBL3331152)
Show SMILES Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N3O3/c1-16-14-23(20(25)21-19(16)24)15-17-6-8-18(9-7-17)26-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13,15H2,1H3,(H,21,24,25)
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 7.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026367
PNG
(CHEMBL3331144)
Show SMILES O=C(c1ccccc1)n1c(=O)ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O
Show InChI InChI=1S/C26H29N3O4/c30-24-14-18-28(26(32)29(24)25(31)22-8-3-1-4-9-22)20-21-10-12-23(13-11-21)33-19-7-17-27-15-5-2-6-16-27/h1,3-4,8-14,18H,2,5-7,15-17,19-20H2
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 7.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50200166
PNG
(1-(2',4'-dichlorophenyl)-6-methyl-N-cyclohexylamin...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C24H23Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h7-11,13,17H,2-6,12H2,1H3,(H,27,30)
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 7.60n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209497
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1ccco1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Show InChI InChI=1S/C27H28F2N2O2/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)33-16-14-30-18-24-17-25(19-30)31(24)13-1-3-26-4-2-15-32-26/h1-12,15,24-25,27H,13-14,16-19H2/b3-1+
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 8.80n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209491
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-cinnamy...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Show InChI InChI=1S/C29H30F2N2O/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)34-18-17-32-20-27-19-28(21-32)33(27)16-4-7-22-5-2-1-3-6-22/h1-15,27-29H,16-21H2/b7-4+
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 9.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176984
PNG
(7-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3c(Cl)cccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-15-10-11-21(20(27)14-15)31-23-17-7-5-9-19(26)16(17)6-4-8-18(23)22(28-31)24(32)29-30-12-2-1-3-13-30/h5,7,9-11,14H,1-4,6,8,12-13H2,(H,29,32)
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 9.84n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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 11n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026360
PNG
(CHEMBL3331151)
Show SMILES O=c1ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)[nH]1
Show InChI InChI=1S/C19H25N3O3/c23-18-9-13-22(19(24)20-18)15-16-5-7-17(8-6-16)25-14-4-12-21-10-2-1-3-11-21/h5-9,13H,1-4,10-12,14-15H2,(H,20,23,24)
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 13n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209490
PNG
(3-{2-[bis-(4-fluorophenyl)methoxy]ethyl}-6-[(E)-3-...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2C\C=C\c1cccs1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14,18:17:11.12.16:14|
Show InChI InChI=1S/C27H28F2N2OS/c28-22-9-5-20(6-10-22)27(21-7-11-23(29)12-8-21)32-15-14-30-18-24-17-25(19-30)31(24)13-1-3-26-4-2-16-33-26/h1-12,16,24-25,27H,13-15,17-19H2/b3-1+
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 13n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176983
PNG
(7-chloro-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C23H21Cl3N4O/c24-15-5-8-17-14(12-15)4-7-18-21(23(31)28-29-10-2-1-3-11-29)27-30(22(17)18)20-9-6-16(25)13-19(20)26/h5-6,8-9,12-13H,1-4,7,10-11H2,(H,28,31)
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 14.8n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026358
PNG
(CHEMBL3331153)
Show SMILES Cc1c(C)c(=O)[nH]c(=O)n1Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C21H29N3O3/c1-16-17(2)24(21(26)22-20(16)25)15-18-7-9-19(10-8-18)27-14-6-13-23-11-4-3-5-12-23/h7-10H,3-6,11-15H2,1-2H3,(H,22,25,26)
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 18n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176978
PNG
(1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3ccccc3-c12
Show InChI InChI=1S/C24H24Cl2N4O/c25-17-11-12-21(20(26)15-17)30-23-18-9-3-2-7-16(18)8-6-10-19(23)22(27-30)24(31)28-29-13-4-1-5-14-29/h2-3,7,9,11-12,15H,1,4-6,8,10,13-14H2,(H,28,31)
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 18.1n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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 21n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50200177
PNG
(7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-cyclo...)
Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H22Cl3N3O/c1-13-9-14-10-18-22(24(31)28-16-5-3-2-4-6-16)29-30(23(18)17(14)12-19(13)26)21-8-7-15(25)11-20(21)27/h7-9,11-12,16H,2-6,10H2,1H3,(H,28,31)
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 25n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026355
PNG
(CHEMBL3331157)
Show SMILES O=c1cccnn1-c1ccc2nc(sc2c1)N1CC[C@H](C1)N1CCCCC1 |r|
Show InChI InChI=1S/C20H23N5OS/c26-19-5-4-9-21-25(19)15-6-7-17-18(13-15)27-20(22-17)24-12-8-16(14-24)23-10-2-1-3-11-23/h4-7,9,13,16H,1-3,8,10-12,14H2/t16-/m1/s1
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<25n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176975
PNG
(8-chloro-1-(2',4'-dichlorophenyl)-N-m,p-dichloroph...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C25H16Cl5N3O/c26-14-4-7-17-13(10-14)2-1-3-18-23(25(34)31-16-6-8-19(28)20(29)12-16)32-33(24(17)18)22-9-5-15(27)11-21(22)30/h4-12H,1-3H2,(H,31,34)
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 25.8n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176982
PNG
(9-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3ccc(Cl)cc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-8-7-15-5-4-6-18-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19(15)13-16)21-10-9-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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 26.8n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026357
PNG
(CHEMBL3331154)
Show SMILES O=c1cc[nH]c(=O)n1Cc1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H25N3O3/c23-18-9-10-20-19(24)22(18)15-16-5-7-17(8-6-16)25-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-15H2,(H,20,24)
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 29n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))		BDBM50176982
PNG
(9-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3ccc(Cl)cc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-8-7-15-5-4-6-18-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19(15)13-16)21-10-9-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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 31.2n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50176984
PNG
(7-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3c(Cl)cccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-15-10-11-21(20(27)14-15)31-23-17-7-5-9-19(26)16(17)6-4-8-18(23)22(28-31)24(32)29-30-12-2-1-3-13-30/h5,7,9-11,14H,1-4,6,8,12-13H2,(H,29,32)
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 31.6n/an/an/an/an/an/an/an/a



Università di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen

J Med Chem 48: 7351-62 (2005)


Article DOI: 10.1021/jm050317f
BindingDB Entry DOI: 10.7270/Q2CF9PNQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50026366
PNG
(CHEMBL3331145)
Show SMILES Cc1cn(Cc2ccc(OCCCN3CCCCC3)cc2)c(=O)n(C(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C27H31N3O4/c1-21-19-29(27(33)30(25(21)31)26(32)23-9-4-2-5-10-23)20-22-11-13-24(14-12-22)34-18-8-17-28-15-6-3-7-16-28/h2,4-5,9-14,19H,3,6-8,15-18,20H2,1H3
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 32n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-Methylhistamine from human recombinant H3 receptor expressed in HEK293 cells by competitive binding assay

Eur J Med Chem 86: 578-88 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.011
BindingDB Entry DOI: 10.7270/Q2222WCC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)		BDBM50200163
PNG
(1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)
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 33n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptor

J Med Chem 49: 7502-12 (2006)


Article DOI: 10.1021/jm060920d
BindingDB Entry DOI: 10.7270/Q2057GRN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50209496
PNG
(6-[(benzo[b]thiophen-2-yl)methyl]-3-{2-[bis-(4-flu...)
Show SMILES Fc1ccc(cc1)C(OCCN1CC2CC(C1)N2Cc1cc2ccccc2s1)c1ccc(F)cc1 |w:13.13,15.16,TLB:10:11:17:14|
Show InChI InChI=1S/C29H28F2N2OS/c30-23-9-5-20(6-10-23)29(21-7-11-24(31)12-8-21)34-14-13-32-17-25-16-26(18-32)33(25)19-27-15-22-3-1-2-4-28(22)35-27/h1-12,15,25-26,29H,13-14,16-19H2
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 35n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat striatum synaptosome

Bioorg Med Chem 15: 3748-55 (2007)


Article DOI: 10.1016/j.bmc.2007.03.035
BindingDB Entry DOI: 10.7270/Q2M61M3F
More data for this
Ligand-Target Pair
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