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Compile Data Set for Download or QSAR

Found 321 hits with Last Name = 'van der neut' and Initial = 'ma'   
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 2


(Homo sapiens (Human))
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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0.620n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309538
PNG
(5-Ethyl-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1c(nc(C)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Show InChI InChI=1S/C23H29N3O/c1-3-20-21(24-15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.03n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
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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1.36n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159929
PNG
(CHEMBL3786752)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC(CC)C=N1 |c:22|
Show InChI InChI=1/C14H20ClN5O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-13(16)12(15)7-11/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19)
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1.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309540
PNG
(2-Ethyl-5-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES CCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8,7:8:11:15.14.13|
Show InChI InChI=1S/C23H29N3O/c1-3-20-24-21(15(2)26(20)19-7-5-4-6-8-19)22(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h4-8,16-18H,3,9-14H2,1-2H3,(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159784
PNG
(CHEMBL3785453)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)c(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(22-11-16(10-20-22)7-3-4-8-16)21-25(23,24)12-5-6-14(18)13(17)9-12/h5-6,9-10H,2-4,7-8,11,18H2,1H3,(H,19,21)
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1.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312822
PNG
((R)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m1/s1
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2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354607
PNG
(CHEMBL1834337)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22|
Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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2.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309534
PNG
(2,5-Dimethyl-1-phenyl-1H-imidazole-4-carboxylic ac...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccccc1 |THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13,6:7:10:14.12.13|
Show InChI InChI=1S/C22H27N3O/c1-14-20(23-15(2)25(14)19-6-4-3-5-7-19)21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18H,8-13H2,1-2H3,(H,24,26)
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2.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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2.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317250
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(methy...)
Show SMILES CSc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-20-18(21(29)26-27-10-2-3-11-27)25-28(17-9-8-15(23)12-16(17)24)19(20)13-4-6-14(22)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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3n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50303835
PNG
(3-(4-Chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-N...)
Show SMILES CN(C)CCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:6.5,c:23|
Show InChI InChI=1S/C27H29Cl2N5O2S/c1-33(2)18-6-17-30-27(32-37(35,36)24-15-13-23(29)14-16-24)34-19-25(20-7-4-3-5-8-20)26(31-34)21-9-11-22(28)12-10-21/h3-5,7-16,25H,6,17-19H2,1-2H3,(H,30,32)
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3.10n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells


J Med Chem 53: 1338-46 (2010)


Article DOI: 10.1021/jm901614b
BindingDB Entry DOI: 10.7270/Q2WQ03WT
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325599
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC(C)(C)c1ccccc1 |t:5|
Show InChI InChI=1S/C24H31N3O/c1-4-5-8-17-22-21(19-13-9-6-10-14-19)18-27(26-22)23(28)25-24(2,3)20-15-11-7-12-16-20/h6-7,9-16,21H,4-5,8,17-18H2,1-3H3,(H,25,28)
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3.26n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325587
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-((1R,2S,4R)-1,7,7-...)
Show SMILES CCCCC1=NN(C(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C(C)(C)C1c1ccccc1 |r,t:4|
Show InChI InChI=1S/C26H39N3O/c1-7-8-14-20-22(18-12-10-9-11-13-18)25(4,5)29(28-20)23(30)27-21-17-19-15-16-26(21,6)24(19,2)3/h9-13,19,21-22H,7-8,14-17H2,1-6H3,(H,27,30)/t19-,21+,22?,26+/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309537
PNG
(2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl...)
Show SMILES Cc1nc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H18F3N3O/c1-13-18(25-14(2)26(13)16-9-4-3-5-10-16)19(27)24-12-15-8-6-7-11-17(15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,27)
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3.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354608
PNG
(CHEMBL1834342)
Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C12H17ClN4O2S2/c1-3-9-7-15-17(8-9)12(14-4-2)16-21(18,19)11-6-5-10(13)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)
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4.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325590
PNG
(1-pentyl-5-phenyl-N-((1R,2S,4R)-1,7,7-trimethylbic...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:18:19:26:22.23|
Show InChI InChI=1S/C25H37N3O/c1-5-6-10-15-28-21(18-11-8-7-9-12-18)17-20(27-28)23(29)26-22-16-19-13-14-25(22,4)24(19,2)3/h7-9,11-12,19,21-22H,5-6,10,13-17H2,1-4H3,(H,26,29)/t19-,21?,22+,25+/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312833
PNG
((S)-3-(4-chlorophenyl)-N-methyl-4-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)N1C[C@@H](C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:3.3,c:21|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-18(12-14-31)23(25,26)27)32-15-20(16-5-3-2-4-6-16)21(29-32)17-7-9-19(24)10-8-17/h2-10,18,20H,11-15H2,1H3,(H,28,30)/t20-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159769
PNG
(CHEMBL3785100)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCCC2)C=N1 |c:27|
Show InChI InChI=1S/C18H23N5O2S/c1-2-19-17(23-13-18(12-21-23)8-3-4-9-18)22-26(24,25)15-5-6-16-14(11-15)7-10-20-16/h5-7,10-12,20H,2-4,8-9,13H2,1H3,(H,19,22)
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4.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354609
PNG
(CHEMBL1834348)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCCC2)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21)
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5.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354610
PNG
(CHEMBL1834338)
Show SMILES CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21)
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5.60n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159783
PNG
(CHEMBL3787201)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(O)cc1)N1CC2(CCCC2)C=N1 |c:24|
Show InChI InChI=1S/C16H22N4O3S/c1-2-17-15(20-12-16(11-18-20)9-3-4-10-16)19-24(22,23)14-7-5-13(21)6-8-14/h5-8,11,21H,2-4,9-10,12H2,1H3,(H,17,19)
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5.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325591
PNG
(5-(2-fluorophenyl)-1-pentyl-N-((1R,2S,4R)-1,7,7-tr...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1F)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,c:6,THB:19:20:27:23.24|
Show InChI InChI=1S/C25H36FN3O/c1-5-6-9-14-29-21(18-10-7-8-11-19(18)26)16-20(28-29)23(30)27-22-15-17-12-13-25(22,4)24(17,2)3/h7-8,10-11,17,21-22H,5-6,9,12-16H2,1-4H3,(H,27,30)/t17-,21?,22+,25+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159754
PNG
(CHEMBL3785512)
Show SMILES CCN\C(=N/S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(CCCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)5-3-4-6-16)20-25(23,24)14-8-12(17)7-13(22)9-14/h7-10,22H,2-6,11H2,1H3,(H,18,20)
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6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325597
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)
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6.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325597
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxyl...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:28:27:25:21.22.23,THB:28:22:19.27.26:25,23:22:19:26.24.25,23:24:19:21.28.22,18:19:25:21.22.23,(10.83,-.95,;12.36,-.79,;13.27,-2.03,;14.8,-1.87,;15.71,-3.12,;17.24,-2.96,;18.27,-4.1,;19.67,-3.48,;19.51,-1.94,;18.01,-1.62,;17.38,-.22,;18.29,1.03,;17.66,2.44,;16.13,2.6,;15.22,1.35,;15.85,-.06,;21.01,-4.25,;21.01,-5.79,;22.34,-3.47,;23.84,-3.82,;25.59,-3.75,;26.2,-5.02,;27.44,-5.75,;28.52,-4.67,;27.92,-3.29,;26.63,-2.68,;26.32,-3.44,;25.21,-4.58,;25.82,-5.96,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-5-10-23-22(19-8-6-4-7-9-19)16-28(27-23)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4,6-9,17-18,20-22,24H,2-3,5,10-16H2,1H3,(H,26,29)
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6.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354611
PNG
(CHEMBL1834347)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCC2)C=N1 |w:2.1,c:24|
Show InChI InChI=1S/C16H21ClN4O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,18,20)
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6.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325588
PNG
(1-Pentyl-5-phenyl-4,5-dihydro-1H-pyrazole-3-carbox...)
Show SMILES CCCCCN1N=C(CC1c1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 |c:6,TLB:25:24:28:21.20.19,25:20:23.24.26:28,THB:19:20:23:26.27.28,19:27:23:21.25.20,18:19:23.24.26:28,(-3.84,1.82,;-2.42,1.21,;-2.25,-.31,;-.85,-.92,;-.67,-2.44,;.73,-3.05,;1.06,-4.55,;2.6,-4.7,;3.23,-3.3,;2.07,-2.26,;2.22,-.73,;3.64,-.09,;3.79,1.45,;2.53,2.36,;1.1,1.71,;.96,.17,;3.36,-6.02,;2.6,-7.35,;4.9,-6.02,;6.11,-6.95,;7.55,-6.46,;8.33,-7.66,;8.3,-9.07,;9.89,-9.77,;9.01,-8.5,;9.08,-7,;7.52,-9.02,;6.03,-8.45,;6.91,-9.56,)|
Show InChI InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)
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7.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159786
PNG
(CHEMBL3786693)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCCCC2)C=N1 |c:25|
Show InChI InChI=1S/C17H25N5O2S/c1-2-19-16(21-25(23,24)15-8-6-14(18)7-9-15)22-13-17(12-20-22)10-4-3-5-11-17/h6-9,12H,2-5,10-11,13,18H2,1H3,(H,19,21)
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7.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354612
PNG
(CHEMBL1834350)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)
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7.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159931
PNG
(CHEMBL3785626)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC(CC)C=N1 |c:21|
Show InChI InChI=1/C14H21N5O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-12(15)6-8-13/h5-9,11H,3-4,10,15H2,1-2H3,(H,16,18)
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7.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325592
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)Nc1cccc2ccccc12 |t:5|
Show InChI InChI=1S/C25H27N3O/c1-2-3-5-16-24-22(20-11-6-4-7-12-20)18-28(27-24)25(29)26-23-17-10-14-19-13-8-9-15-21(19)23/h4,6-15,17,22H,2-3,5,16,18H2,1H3,(H,26,29)
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7.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312831
PNG
(3-(4-chlorophenyl)-N'-(4-fluoropiperidin-1-ylsulfo...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(F)CC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:3.3,c:18|
Show InChI InChI=1S/C22H25ClFN5O2S/c1-25-22(27-32(30,31)28-13-11-19(24)12-14-28)29-15-20(16-5-3-2-4-6-16)21(26-29)17-7-9-18(23)10-8-17/h2-10,19-20H,11-15H2,1H3,(H,25,27)
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7.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312821
PNG
((S)-1-(4-chlorophenyl)-N-methyl-5-phenyl-N'-(4-(tr...)
Show SMILES CNC(=NS(=O)(=O)N1CCC(CC1)C(F)(F)F)C1=NN([C@@H](C1)c1ccccc1)c1ccc(Cl)cc1 |r,w:3.3,t:18|
Show InChI InChI=1S/C23H25ClF3N5O2S/c1-28-22(30-35(33,34)31-13-11-17(12-14-31)23(25,26)27)20-15-21(16-5-3-2-4-6-16)32(29-20)19-9-7-18(24)8-10-19/h2-10,17,21H,11-15H2,1H3,(H,28,30)/t21-/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1752-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.049
BindingDB Entry DOI: 10.7270/Q2736RWV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354614
PNG
(CHEMBL1834341)
Show SMILES CCNC(=NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C=N1 |w:4.4,c:24|
Show InChI InChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354613
PNG
(CHEMBL1834333)
Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:22|
Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-12(15)13(16)7-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354615
PNG
(CHEMBL1834230)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C13H17ClN4O2S/c1-3-15-13(18-9-10(2)8-16-18)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17)
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8n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50325595
PNG
(3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxyli...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)NCC12CC3CC(CC(C3)C1)C2 |t:5,THB:19:20:23:27.25.26,25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|
Show InChI InChI=1S/C26H37N3O/c1-2-3-5-10-24-23(22-8-6-4-7-9-22)17-29(28-24)25(30)27-18-26-14-19-11-20(15-26)13-21(12-19)16-26/h4,6-9,19-21,23H,2-3,5,10-18H2,1H3,(H,27,30)
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8n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354616
PNG
(CHEMBL1834238)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccco1 |w:2.1,c:17|
Show InChI InChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)13-6-3-5-12(17)11-13)21-14(8-9-19-21)15-7-4-10-24-15/h3-7,9-11,14H,2,8H2,1H3,(H,18,20)
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8.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325584
PNG
((+)-3-pentyl-4-phenyl-N-((1R,2S,4S)-1,7,7-trimethy...)
Show SMILES CCCCCC1=NN(CC1c1ccccc1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C |r,t:5|
Show InChI InChI=1S/C25H37N3O/c1-5-6-8-13-21-20(18-11-9-7-10-12-18)17-28(27-21)23(29)26-22-16-19-14-15-25(22,4)24(19,2)3/h7,9-12,19-20,22H,5-6,8,13-17H2,1-4H3,(H,26,29)/t19-,20?,22+,25+/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50309543
PNG
(5-Bromo-2-methyl-1-phenyl-1H-imidazole-4-carboxyli...)
Show SMILES Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Br)n1-c1ccccc1 |TLB:6:7:10.9.14:12,THB:8:9:12:16.7.15,8:7:10.9.14:12,15:7:10:14.13.12,15:13:10:16.8.7,6:7:10:14.13.12|
Show InChI InChI=1S/C21H24BrN3O/c1-13-23-18(19(22)25(13)17-5-3-2-4-6-17)20(26)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,24,26)
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8.40n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 1084-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.032
BindingDB Entry DOI: 10.7270/Q22J6CTB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354617
PNG
(CHEMBL1834340)
Show SMILES CCNC(=NS(=O)c1sc2ccc(Cl)cc2c1C)N1CC(CC)C=N1 |w:4.4,c:25|
Show InChI InChI=1S/C17H21ClN4OS2/c1-4-12-9-20-22(10-12)17(19-5-2)21-25(23)16-11(3)14-8-13(18)6-7-15(14)24-16/h6-9,12H,4-5,10H2,1-3H3,(H,19,21)
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8.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159930
PNG
(CHEMBL3787014)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)N1CC(CC)C=N1 |c:25|
Show InChI InChI=1/C16H22ClN5O3S/c1-4-12-9-19-22(10-12)16(18-5-2)21-26(24,25)13-6-7-15(14(17)8-13)20-11(3)23/h6-9,12H,4-5,10H2,1-3H3,(H,18,21)(H,20,23)
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8.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50317246
PNG
(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methy...)
Show SMILES CSc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCC1
Show InChI InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
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8.90n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 2770-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.068
BindingDB Entry DOI: 10.7270/Q2XG9S33
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50325586
PNG
(3-butyl-5,5-dimethyl-4-phenyl-N-(2-phenylpropan-2-...)
Show SMILES CCCCC1=NN(C(=O)NC(C)(C)c2ccccc2)C(C)(C)C1c1ccccc1 |t:4|
Show InChI InChI=1S/C25H33N3O/c1-6-7-18-21-22(19-14-10-8-11-15-19)25(4,5)28(27-21)23(29)26-24(2,3)20-16-12-9-13-17-20/h8-17,22H,6-7,18H2,1-5H3,(H,26,29)
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9n/an/an/an/an/an/an/an/a



Abbott Healthcare Products BV

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4992-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.056
BindingDB Entry DOI: 10.7270/Q27S7P0N
More data for this
Ligand-Target Pair
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