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Compile Data Set for Download or QSAR

Found 1294 hits with Last Name = 'lópez-rodríguez' and Initial = 'ml'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1 |r,c:18|
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083190
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
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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0.150n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 cannabinoid receptor using [3H]CP-55940 in HEK293 EBNA transfected cells


J Med Chem 44: 4505-8 (2001)


BindingDB Entry DOI: 10.7270/Q29G5NJ5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083188
PNG
(7-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.05,;7.88,-8.3,;7.88,-6.75,;6.56,-5.96,;9.21,-5.98,;10.55,-6.75,;11.88,-5.96,;11.85,-4.43,;13.21,-6.72,;14.54,-5.94,;14.52,-7.49,;15.86,-6.71,;14.68,-5.26,;14.75,-4.17,;16.02,-5.55,;17.51,-5.93,;17.35,-7.1,;10.55,-8.3,;11.71,-9.32,;11.09,-10.73,;9.55,-10.59,;9.23,-9.09,)|
Show InChI InChI=1S/C15H18ClN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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0.240n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083174
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105650
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-is...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083197
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083186
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |(6.12,-5.94,;7.44,-6.75,;8.76,-5.96,;10.11,-6.73,;11.43,-5.94,;11.43,-4.41,;12.77,-6.73,;14.09,-5.94,;14.07,-7.49,;15.41,-6.68,;14.23,-5.24,;14.29,-4.15,;15.57,-5.52,;17.05,-5.91,;16.89,-7.1,;10.11,-8.28,;11.27,-9.32,;10.63,-10.73,;9.09,-10.57,;8.76,-9.06,;7.44,-8.28,)|
Show InChI InChI=1S/C15H17BrN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105650
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-is...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105649
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105649
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083182
PNG
(7-Amino-6-bromo-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.06,;7.9,-8.29,;7.9,-6.74,;6.56,-5.96,;9.23,-5.98,;10.56,-6.74,;11.89,-5.96,;11.87,-4.42,;13.23,-6.72,;14.55,-5.94,;14.51,-7.48,;15.87,-6.7,;14.67,-5.26,;14.74,-4.17,;16.01,-5.54,;17.5,-5.93,;17.33,-7.1,;10.56,-8.29,;11.7,-9.31,;11.08,-10.72,;9.54,-10.59,;9.23,-9.08,)|
Show InChI InChI=1S/C15H18BrN5O/c16-10-5-9(13-14(12(10)17)19-7-18-13)15(22)20-11-6-21-3-1-8(11)2-4-21/h5,7-8,11H,1-4,6,17H2,(H,18,19)(H,20,22)
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0.420n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164462
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-hex...)
Show SMILES O=C1CN(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2
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0.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105640
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pe...)
Show SMILES CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-2-3-4-7-24-8-5-14(6-9-24)12-21-19(25)16-10-15(20)11-17-18(16)23-13-22-17/h10-11,13-14H,2-9,12H2,1H3,(H,21,25)(H,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105640
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pe...)
Show SMILES CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-2-3-4-7-24-8-5-14(6-9-24)12-21-19(25)16-10-15(20)11-17-18(16)23-13-22-17/h10-11,13-14H,2-9,12H2,1H3,(H,21,25)(H,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095831
PNG
(2-{4-[4-(2-Phenoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C27H34N4O3/c32-26-24-13-6-7-16-30(24)27(33)31(26)17-9-8-15-28-18-20-29(21-19-28)23-12-4-5-14-25(23)34-22-10-2-1-3-11-22/h1-5,10-12,14,32H,6-9,13,15-21H2
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0.600n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 44: 198-207 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2HWS
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand.


J Med Chem 39: 4439-50 (1996)


Article DOI: 10.1021/jm960416g
BindingDB Entry DOI: 10.7270/Q2WS8SBN
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105653
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.640n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105653
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.640n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM86428
PNG
(SB-258585)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at mouse wild type 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF as...


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083191
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-az...)
Show SMILES Clc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Show InChI InChI=1S/C15H17ClN4O/c16-10-5-11(14-12(6-10)17-8-18-14)15(21)19-13-7-20-3-1-9(13)2-4-20/h5-6,8-9,13H,1-4,7H2,(H,17,18)(H,19,21)/t13-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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0.770n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Compound was evalated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay , using [3H]-LY 278584 in...


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50154716
PNG
((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...)
Show SMILES CSc1ccc2Sc3ccccc3C[C@H](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/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 10: 1097-100 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9RNJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50080166
PNG
(2-{4-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-yl]-bu...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C21H28N6O2/c28-20-18-7-4-10-26(18)21(29)27(20)9-2-1-8-24-11-13-25(14-12-24)17-6-3-5-16-19(17)23-15-22-16/h3,5-6,15,28H,1-2,4,7-14H2,(H,22,23)
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1.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095801
PNG
(2-{4-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-butyl}-t...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
Show InChI InChI=1S/C25H38N4O3/c1-2-3-20-32-23-12-5-4-10-21(23)27-18-16-26(17-19-27)13-8-9-15-29-24(30)22-11-6-7-14-28(22)25(29)31/h4-5,10,12,30H,2-3,6-9,11,13-20H2,1H3
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1.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT


J Med Chem 44: 186-97 (2001)


BindingDB Entry DOI: 10.7270/Q2RN38MH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50080166
PNG
(2-{4-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-yl]-bu...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C21H28N6O2/c28-20-18-7-4-10-26(18)21(29)27(20)9-2-1-8-24-11-13-25(14-12-24)17-6-3-5-16-19(17)23-15-22-16/h3,5-6,15,28H,1-2,4,7-14H2,(H,22,23)
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1.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 9: 2339-42 (1999)


BindingDB Entry DOI: 10.7270/Q2M044MF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359421
PNG
(CHEMBL1926735)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m0/s1
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1.23n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359428
PNG
(CHEMBL1926759)
Show SMILES Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H26N2O3S/c22-18-14-25-19(23)21(18)12-6-2-1-5-11-20-13-16-10-9-15-7-3-4-8-17(15)24-16/h3-4,7-8,14,16,20,22H,1-2,5-6,9-13H2
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1.30n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
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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1.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to CB1 cannabinoid receptor using [3H]WIN-55212-2 in rat cerebellum membranes


J Med Chem 44: 4505-8 (2001)


BindingDB Entry DOI: 10.7270/Q29G5NJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083196
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12 |wU:11.10,(5.22,-8.23,;6.54,-9.02,;6.52,-10.56,;7.88,-8.27,;7.88,-6.72,;6.54,-5.94,;9.18,-5.96,;10.53,-6.72,;11.84,-5.94,;11.84,-4.41,;13.19,-6.7,;14.49,-5.92,;14.49,-7.46,;15.81,-6.68,;14.65,-5.24,;14.72,-4.16,;15.99,-5.53,;17.47,-5.91,;17.3,-7.08,;10.53,-8.27,;11.67,-9.29,;11.07,-10.7,;9.53,-10.56,;9.2,-9.06,)|
Show InChI InChI=1S/C15H16ClN5O3/c16-10-5-9(12-13(18-7-17-12)14(10)21(23)24)15(22)19-11-6-20-3-1-8(11)2-4-20/h5,7-8,11H,1-4,6H2,(H,17,18)(H,19,22)/t11-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359422
PNG
(CHEMBL1926734)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50403780
PNG
(CHEMBL12846)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H32N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12,21H,4-5,7,11,13-19H2,(H,27,29)
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2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand


Bioorg Med Chem Lett 10: 1097-100 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9RNJ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50403759
PNG
(CHEMBL428494)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCN(CC1)c1ccccn1)c23
Show InChI InChI=1S/C24H30N4O/c29-23-24(12-6-8-19-7-5-9-20(26-23)22(19)24)11-2-4-14-27-15-17-28(18-16-27)21-10-1-3-13-25-21/h1,3,5,7,9-10,13H,2,4,6,8,11-12,14-18H2,(H,26,29)
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2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand


Bioorg Med Chem Lett 10: 1097-100 (2000)


BindingDB Entry DOI: 10.7270/Q2JS9RNJ
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105648
PNG
(6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105648
PNG
(6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50095801
PNG
(2-{4-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-butyl}-t...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
Show InChI InChI=1S/C25H38N4O3/c1-2-3-20-32-23-12-5-4-10-21(23)27-18-16-26(17-19-27)13-8-9-15-29-24(30)22-11-6-7-14-28(22)25(29)31/h4-5,10,12,30H,2-3,6-9,11,13-20H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 44: 198-207 (2001)


BindingDB Entry DOI: 10.7270/Q2MW2HWS
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105647
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105647
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054393
PNG
(2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N4O2/c22-21(23,24)16-5-3-6-17(15-16)26-13-11-25(12-14-26)8-1-2-9-28-19(29)18-7-4-10-27(18)20(28)30/h3,5-6,15,29H,1-2,4,7-14H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinities against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in rat cerebral cortex membrane


J Med Chem 40: 2653-6 (1997)


Article DOI: 10.1021/jm970216k
BindingDB Entry DOI: 10.7270/Q2X34WKX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054393
PNG
(2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N4O2/c22-21(23,24)16-5-3-6-17(15-16)26-13-11-25(12-14-26)8-1-2-9-28-19(29)18-7-4-10-27(18)20(28)30/h3,5-6,15,29H,1-2,4,7-14H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-OH-DPAT binding at 5-hydroxytryptamine 1A receptor in rat cerebral cor...


J Med Chem 40: 1648-56 (1997)


Article DOI: 10.1021/jm960744g
BindingDB Entry DOI: 10.7270/Q2K35V96
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083184
PNG
(7-Amino-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.54,-9.03,;7.86,-8.27,;7.86,-6.72,;9.2,-5.96,;10.52,-6.72,;11.86,-5.94,;11.83,-4.41,;13.17,-6.7,;14.49,-5.92,;14.47,-7.46,;15.81,-6.68,;14.63,-5.24,;14.7,-4.16,;15.97,-5.53,;17.45,-5.91,;17.29,-7.08,;10.52,-8.27,;11.67,-9.29,;11.05,-10.69,;9.5,-10.56,;9.2,-9.05,)|
Show InChI InChI=1S/C15H19N5O/c16-11-2-1-10(13-14(11)18-8-17-13)15(21)19-12-7-20-5-3-9(12)4-6-20/h1-2,8-9,12H,3-7,16H2,(H,17,18)(H,19,21)
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359420
PNG
(CHEMBL1926744)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50054393
PNG
(2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N4O2/c22-21(23,24)16-5-3-6-17(15-16)26-13-11-25(12-14-26)8-1-2-9-28-19(29)18-7-4-10-27(18)20(28)30/h3,5-6,15,29H,1-2,4,7-14H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand.


J Med Chem 39: 4439-50 (1996)


Article DOI: 10.1021/jm960416g
BindingDB Entry DOI: 10.7270/Q2WS8SBN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 13: 1429-32 (2003)


BindingDB Entry DOI: 10.7270/Q2BV7FZX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164454
PNG
((S)-2-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50083195
PNG
(1H-Benzoimidazole-4-carboxylic acid ((S)-4-ethyl-1...)
Show SMILES CCC1CCN(C)C[C@H]1NC(=O)c1cccc2nc[nH]c12
Show InChI InChI=1S/C16H22N4O/c1-3-11-7-8-20(2)9-14(11)19-16(21)12-5-4-6-13-15(12)18-10-17-13/h4-6,10-11,14H,3,7-9H2,1-2H3,(H,17,18)(H,19,21)/t11?,14-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes.


J Med Chem 42: 5020-8 (2000)


BindingDB Entry DOI: 10.7270/Q2H132PJ
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105642
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C18H24ClN3O2/c1-2-3-6-22-7-4-13(5-8-22)11-24-18(23)15-9-14(19)10-16-17(15)21-12-20-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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2.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
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