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Compile Data Set for Download or QSAR

Found 6124 hits with Last Name = 'pan' and Initial = 'd'   
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
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579331
PNG
(CHEMBL4852099)
Show SMILES Fc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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 0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530711
PNG
(CHEMBL4553052)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(Cl)c(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H26ClN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1
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 0.191n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530711
PNG
(CHEMBL4553052)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(Cl)c(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H26ClN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1
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 0.191n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50056419
PNG
(4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)/t13-/m1/s1
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 0.230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530731
PNG
(CHEMBL4580446)
Show SMILES N[C@@H](CCC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C25H29N7O6/c26-16(25(36)37)6-2-4-14(8-7-13-3-1-5-15(9-13)22(28)35)10-17-19(33)20(34)24(38-17)32-12-31-18-21(27)29-11-30-23(18)32/h1,3,5,9,11-12,14,16-17,19-20,24,33-34H,2,4,6,10,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16+,17-,19-,20-,24-/m1/s1
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 0.240n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530731
PNG
(CHEMBL4580446)
Show SMILES N[C@@H](CCC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C25H29N7O6/c26-16(25(36)37)6-2-4-14(8-7-13-3-1-5-15(9-13)22(28)35)10-17-19(33)20(34)24(38-17)32-12-31-18-21(27)29-11-30-23(18)32/h1,3,5,9,11-12,14,16-17,19-20,24,33-34H,2,4,6,10,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16+,17-,19-,20-,24-/m1/s1
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 0.240n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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 0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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 0.5n/an/an/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation countin...

J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
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 0.501n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
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 0.501n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
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 0.501n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530712
PNG
(CHEMBL4591248)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
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 0.501n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM21190
PNG
(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Show SMILES Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
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 0.900n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579329
PNG
(CHEMBL4863218)
Show SMILES Clc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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 1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
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 1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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 1.43n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579335
PNG
(CHEMBL4854972)
Show SMILES FC(F)(F)c1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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 1.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530723
PNG
(CHEMBL4455627)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(F)c(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H26FN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530723
PNG
(CHEMBL4455627)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(F)c(c1)C(N)=O)C(O)=O |r|
Show InChI InChI=1S/C24H26FN7O6/c25-14-5-3-11(7-13(14)21(28)35)1-2-12(4-6-15(26)24(36)37)8-16-18(33)19(34)23(38-16)32-10-31-17-20(27)29-9-30-22(17)32/h3,5,7,9-10,12,15-16,18-19,23,33-34H,4,6,8,26H2,(H2,28,35)(H,36,37)(H2,27,29,30)/t12-,15-,16+,18+,19+,23+/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...

Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50533199
PNG
(CHEMBL4527011)
Show SMILES [H][C@]12CCN(c3ccc(cc3)-c3ccc(cc3)-n3ncccc3=O)[C@@]1([H])CN(C)C2 |r|
Show InChI InChI=1S/C23H24N4O/c1-25-15-19-12-14-26(22(19)16-25)20-8-4-17(5-9-20)18-6-10-21(11-7-18)27-23(28)3-2-13-24-27/h2-11,13,19,22H,12,14-16H2,1H3/t19-,22+/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from full-length human histamine H3 receptor expressed in HEK cells after 30 mins by liquid scintillation ...

Bioorg Med Chem Lett 26: 4140-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.054
BindingDB Entry DOI: 10.7270/Q2XD155T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579334
PNG
(CHEMBL4864206)
Show SMILES Cc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50163407
PNG
(2-Furan-2-yl-N*5*-[(R)-1-(2,4,6-trifluoro-benzyl)-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cc(F)cc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19F3N8O/c21-11-7-14(22)13(15(23)8-11)10-30-5-1-3-12(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)16-4-2-6-32-16/h2,4,6-8,12H,1,3,5,9-10H2,(H3,24,25,26,27,28,29)/t12-/m1/s1
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 2n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579332
PNG
(CHEMBL4851595)
Show SMILES [O-][N+](=O)c1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579327
PNG
(CHEMBL4847532)
Show SMILES Clc1cccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)c1
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 2n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345760
PNG
(1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-i...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
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 2.52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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 2.56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345758
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H19ClFN3O2S/c20-18-13-24(27(25,26)16-4-2-15(21)3-5-16)19-6-1-14(11-17(18)19)12-23-9-7-22-8-10-23/h1-6,11,13,22H,7-10,12H2
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 2.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530737
PNG
(CHEMBL4449355)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(c(c1)C(N)=O)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)14-5-3-11(7-13(14)21(31)38)1-2-12(4-6-15(29)24(39)40)8-16-18(36)19(37)23(41-16)35-10-34-17-20(30)32-9-33-22(17)35/h3,5,7,9-10,12,15-16,18-19,23,36-37H,4,6,8,29H2,(H2,31,38)(H,39,40)(H2,30,32,33)/t12-,15-,16+,18+,19+,23+/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530737
PNG
(CHEMBL4449355)
Show SMILES N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1ccc(c(c1)C(N)=O)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H26F3N7O6/c26-25(27,28)14-5-3-11(7-13(14)21(31)38)1-2-12(4-6-15(29)24(39)40)8-16-18(36)19(37)23(41-16)35-10-34-17-20(30)32-9-33-22(17)35/h3,5,7,9-10,12,15-16,18-19,23,36-37H,4,6,8,29H2,(H2,31,38)(H,39,40)(H2,30,32,33)/t12-,15-,16+,18+,19+,23+/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50402705
PNG
(CHEMBL2207368)
Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12
Show InChI InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
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 2.82n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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 2.97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50151182
PNG
(2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperaz...)
Show SMILES Nc1nc(nc2nc(nn12)-c1ccco1)N1CCN(Cc2c(F)cc(F)cc2F)CC1
Show InChI InChI=1S/C19H17F3N8O/c20-11-8-13(21)12(14(22)9-11)10-28-3-5-29(6-4-28)18-25-17(23)30-19(26-18)24-16(27-30)15-2-1-7-31-15/h1-2,7-9H,3-6,10H2,(H2,23,24,25,26,27)
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 3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579328
PNG
(CHEMBL4878383)
Show SMILES Clc1ccccc1CNCCNCCOc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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 3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50163432
PNG
(CHEMBL179478 | N*5*-[(R)-1-(5-Chloro-furan-2-ylmet...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2ccc(Cl)o2)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C18H19ClN8O2/c19-14-6-5-12(29-14)10-26-7-1-3-11(26)9-21-17-23-16(20)27-18(24-17)22-15(25-27)13-4-2-8-28-13/h2,4-6,8,11H,1,3,7,9-10H2,(H3,20,21,22,23,24,25)/t11-/m1/s1
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 3n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579323
PNG
(CHEMBL4878361)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNCc3ccccc3)cccc12
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 3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345763
PNG
(1-(4-Chloro benzenesulfonyl)-5-(4-methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3
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 3.02n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345762
PNG
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22F3N3O2S/c1-25-9-11-26(12-10-25)15-16-5-6-20-17(13-16)7-8-27(20)30(28,29)19-4-2-3-18(14-19)21(22,23)24/h2-8,13-14H,9-12,15H2,1H3
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 3.15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345772
PNG
(1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
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 3.21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
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 3.24n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345753
PNG
(3-Chloro-1-(2,4-difluorobenzenesulfonyl)-5-(4-meth...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
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 3.36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530724
PNG
(CHEMBL4519184)
Show SMILES Cc1ccc(cc1C(N)=O)C#C[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H29N7O6/c1-12-2-3-13(8-15(12)22(28)35)4-5-14(6-7-16(26)25(36)37)9-17-19(33)20(34)24(38-17)32-11-31-18-21(27)29-10-30-23(18)32/h2-3,8,10-11,14,16-17,19-20,24,33-34H,6-7,9,26H2,1H3,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16-,17+,19+,20+,24+/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
Nicotinamide N-methyltransferase


(Homo sapiens (Human))		BDBM50530724
PNG
(CHEMBL4519184)
Show SMILES Cc1ccc(cc1C(N)=O)C#C[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H29N7O6/c1-12-2-3-13(8-15(12)22(28)35)4-5-14(6-7-16(26)25(36)37)9-17-19(33)20(34)24(38-17)32-11-31-18-21(27)29-10-30-23(18)32/h2-3,8,10-11,14,16-17,19-20,24,33-34H,6-7,9,26H2,1H3,(H2,28,35)(H,36,37)(H2,27,29,30)/t14-,16-,17+,19+,20+,24+/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



BioKin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged wild type human NNMT expressed in Escherichia coli NiCo21(DE3) assessed as reduction in 1-methylquinolinium leve...

J Med Chem 62: 9837-9873 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01238
BindingDB Entry DOI: 10.7270/Q2D50RDJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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 3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay

Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579320
PNG
(CHEMBL4874513)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCCCNc3c4CCCCc4nc4ccccc34)cccc12
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 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50579333
PNG
(CHEMBL4868597)
Show SMILES COc1ccc(CNCCNCCOc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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 3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter method

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113783
BindingDB Entry DOI: 10.7270/Q21V5JSC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50345769
PNG
(1-Benzenesulfonyl-5-(4-methylpiperazin-1-yl-methyl...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-11-13-22(14-12-21)16-17-7-8-20-18(15-17)9-10-23(20)26(24,25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
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 3.83n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells

ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50449570
PNG
(CHEMBL2448137)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)/t8?,9?,11?,15-/m0/s1
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 3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 2: 1613-1618 (1992)


Article DOI: 10.1016/S0960-894X(00)80441-2
BindingDB Entry DOI: 10.7270/Q2J67HFB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50156604
PNG
(CHEMBL173672 | N*5*-[(R)-1-(2,6-Difluoro-benzyl)-p...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)cccc2F)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20F2N8O/c21-14-5-1-6-15(22)13(14)11-29-8-2-4-12(29)10-24-19-26-18(23)30-20(27-19)25-17(28-30)16-7-3-9-31-16/h1,3,5-7,9,12H,2,4,8,10-11H2,(H3,23,24,25,26,27,28)/t12-/m1/s1
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 4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50163404
PNG
(CHEMBL177615 | N*5*-[(R)-1-(2-Chloro-3,6-difluoro-...)
Show SMILES Nc1nc(NC[C@H]2CCCN2Cc2c(F)ccc(F)c2Cl)nc2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H19ClF2N8O/c21-16-12(13(22)5-6-14(16)23)10-30-7-1-3-11(30)9-25-19-27-18(24)31-20(28-19)26-17(29-31)15-4-2-8-32-15/h2,4-6,8,11H,1,3,7,9-10H2,(H3,24,25,26,27,28,29)/t11-/m1/s1
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 4n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue

J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
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