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Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'orensanz' and Initial = 'l'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 3A/3B


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 3A/3B


(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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50054359
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,25H,4-5,7,9-15H2,1H3
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 3.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinities against Alpha-1 adrenergic receptor (alpha1 adrenoceptor) using [3H]-prazosin 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50069258
PNG
(3-Benzhydrylidene-1-{4-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C31H32FN3O2/c32-26-13-15-27(16-14-26)34-21-19-33(20-22-34)17-7-8-18-35-29(36)23-28(31(35)37)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16H,7-8,17-23H2
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 3.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against serotonin 5-HT1A receptor in rat cerebral cortex membrane using [3H]-8-OH-DPAT as radioligand

Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50069258
PNG
(3-Benzhydrylidene-1-{4-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C31H32FN3O2/c32-26-13-15-27(16-14-26)34-21-19-33(20-22-34)17-7-8-18-35-29(36)23-28(31(35)37)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-16H,7-8,17-23H2
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 3.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]-8-OH-DPAT as radioligand

J Med Chem 42: 36-49 (1999)


Article DOI: 10.1021/jm980285e
BindingDB Entry DOI: 10.7270/Q2B27TFT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083176
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza...)
Show SMILES Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD: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-/m0/s1
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 3.40n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095818
PNG
(2-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
Show InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-5-3-6-18(15-17)27-13-11-26(12-14-27)8-1-2-9-28-16-20(30)29-10-4-7-19(29)21(28)31/h3,5-6,15,19H,1-2,4,7-14,16H2
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 3.60n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095817
PNG
(2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C21H27N5O2/c22-16-17-6-1-2-7-18(17)24-14-12-23(13-15-24)9-3-4-10-26-20(27)19-8-5-11-25(19)21(26)28/h1-2,6-7,27H,3-5,8-15H2
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 3.70n/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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083192
PNG
(1H-Benzoimidazole-4-carboxylic acid (1-aza-bicyclo...)
Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;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,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)|
Show InChI InChI=1S/C15H18N4O/c20-15(11-2-1-3-12-14(11)17-9-16-12)18-13-8-19-6-4-10(13)5-7-19/h1-3,9-10,13H,4-8H2,(H,16,17)(H,18,20)
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 3.70n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054392
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c21-20(22,23)15-4-1-5-16(14-15)25-12-10-24(11-13-25)7-3-9-27-18(28)17-6-2-8-26(17)19(27)29/h1,4-5,14,28H,2-3,6-13H2
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 3.80n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054392
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c21-20(22,23)15-4-1-5-16(14-15)25-12-10-24(11-13-25)7-3-9-27-18(28)17-6-2-8-26(17)19(27)29/h1,4-5,14,28H,2-3,6-13H2
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 3.80n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095800
PNG
(2-{4-[4-(1,3-Dioxo-tetrahydro-pyrrolo[1,2-c]imidaz...)
Show SMILES CCCOC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C24H34N4O4/c1-2-18-32-23(30)19-8-3-4-9-20(19)26-16-14-25(15-17-26)11-5-6-12-28-22(29)21-10-7-13-27(21)24(28)31/h3-4,8-9,29H,2,5-7,10-18H2,1H3
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 3.90n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095816
PNG
(2-{4-[4-(3-Bromo-phenyl)-piperazin-1-yl]-butyl}-te...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Br)c1
Show InChI InChI=1S/C21H29BrN4O2/c22-17-6-5-7-18(16-17)24-14-12-23(13-15-24)9-3-4-11-26-20(27)19-8-1-2-10-25(19)21(26)28/h5-7,16,27H,1-4,8-15H2
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 4n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054387
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-6-12-25-20(26)18-8-4-5-11-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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 4.10n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054387
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-6-12-25-20(26)18-8-4-5-11-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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 4.10n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054359
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,25H,4-5,7,9-15H2,1H3
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 4.40n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054359
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C20H28N4O3/c1-27-18-8-3-2-6-16(18)22-14-12-21(13-15-22)9-5-11-24-19(25)17-7-4-10-23(17)20(24)26/h2-3,6,8,25H,4-5,7,9-15H2,1H3
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 4.40n/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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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 4.90n/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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083178
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-met...)
Show SMILES CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C17H20ClN3O2/c1-21-11-3-2-4-12(21)8-13(7-11)23-17(22)14-5-10(18)6-15-16(14)20-9-19-15/h5-6,9,11-13H,2-4,7-8H2,1H3,(H,19,20)
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 4.90n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50059470
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1
Show InChI InChI=1S/C22H36N4O/c1-27-22-10-3-2-9-21(22)25-16-14-23(15-17-25)11-6-7-12-24-18-20-8-4-5-13-26(20)19-24/h2-3,9-10,20H,4-8,11-19H2,1H3
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 5.10n/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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083194
PNG
(6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES [O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.26,;6.4,-9.09,;6.56,-10.59,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.36,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
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)
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 5.20n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054395
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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 5.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054395
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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 5.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054391
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCN1CCN(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)8-4-10-28-19(29)18-7-1-2-9-27(18)20(28)30/h3,5-6,15,29H,1-2,4,7-14H2
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 5.70n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50069265
PNG
(3-Benzhydrylidene-1-[3-(4-phenyl-piperazin-1-yl)-p...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C30H31N3O2/c34-28-23-27(29(24-11-4-1-5-12-24)25-13-6-2-7-14-25)30(35)33(28)18-10-17-31-19-21-32(22-20-31)26-15-8-3-9-16-26/h1-9,11-16H,10,17-23H2
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 5.70n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand

Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054391
PNG
(2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCN1CCN(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)8-4-10-28-19(29)18-7-1-2-9-27(18)20(28)30/h3,5-6,15,29H,1-2,4,7-14H2
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 5.70n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50069261
PNG
(3-Benzhydrylidene-1-[4-(4-phenyl-piperazin-1-yl)-b...)
Show SMILES O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O2/c35-29-24-28(30(25-12-4-1-5-13-25)26-14-6-2-7-15-26)31(36)34(29)19-11-10-18-32-20-22-33(23-21-32)27-16-8-3-9-17-27/h1-9,12-17H,10-11,18-24H2
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 6.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand

Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095829
PNG
(2-{4-[4-(2-Butoxy-phenyl)-piperazin-1-yl]-butyl}-h...)
Show SMILES CCCCOc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
Show InChI InChI=1S/C25H38N4O3/c1-2-3-19-32-23-11-5-4-9-21(23)27-17-15-26(16-18-27)12-6-7-13-28-20-24(30)29-14-8-10-22(29)25(28)31/h4-5,9,11,22H,2-3,6-8,10,12-20H2,1H3
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 6.5n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50072893
PNG
(3-Benzhydrylidene-1-{4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]C#C[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C32H31N3O3/c1-38-29-17-9-8-16-28(29)34-22-20-33(21-23-34)18-10-11-19-35-30(36)24-27(32(35)37)31(25-12-4-2-5-13-25)26-14-6-3-7-15-26/h2-9,12-17H,18-24H2,1H3
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 6.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A (5-HT1A) receptor in rat cerebral cortex using [3H]-8-OH-DPAT as radioligand

J Med Chem 42: 36-49 (1999)


Article DOI: 10.1021/jm980285e
BindingDB Entry DOI: 10.7270/Q2B27TFT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054354
PNG
(2-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-t...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H29ClN4O2/c22-17-6-5-7-18(16-17)24-14-12-23(13-15-24)9-3-4-11-26-20(27)19-8-1-2-10-25(19)21(26)28/h5-7,16,27H,1-4,8-15H2
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 7.20n/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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50054354
PNG
(2-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-t...)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C21H29ClN4O2/c22-17-6-5-7-18(16-17)24-14-12-23(13-15-24)9-3-4-11-26-20(27)19-8-1-2-10-25(19)21(26)28/h5-7,16,27H,1-4,8-15H2
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 7.20n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50069254
PNG
(3-Benzhydrylidene-1-{3-[4-(2-methoxy-phenyl)-piper...)
Show SMILES [#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C31H33N3O3/c1-37-28-16-9-8-15-27(28)33-21-19-32(20-22-33)17-10-18-34-29(35)23-26(31(34)36)30(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-16H,10,17-23H2,1H3
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 8.10n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand

Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50054395
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C21H30N4O3/c1-28-19-9-3-2-7-17(19)23-15-13-22(14-16-23)10-4-5-11-25-20(26)18-8-6-12-24(18)21(25)27/h2-3,7,9,26H,4-6,8,10-16H2,1H3
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 8.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinities against Alpha-1 adrenergic receptor (alpha1 adrenoceptor) using [3H]-prazosin 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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50069268
PNG
(3-Benzhydrylidene-1-{3-[4-(4-fluoro-phenyl)-pipera...)
Show SMILES Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Show InChI InChI=1S/C30H30FN3O2/c31-25-12-14-26(15-13-25)33-20-18-32(19-21-33)16-7-17-34-28(35)22-27(30(34)36)29(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15H,7,16-22H2
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 8.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1 adrenergic receptor in rat cerebral cortex membrane using [3H]prazosin as radioligand

Bioorg Med Chem Lett 8: 581-6 (1999)


BindingDB Entry DOI: 10.7270/Q2N878XB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50095803
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-20-9-3-2-7-18(20)24-15-13-23(14-16-24)10-4-5-11-25-17-21(27)26-12-6-8-19(26)22(25)28/h2-3,7,9,19H,4-6,8,10-17H2,1H3
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 8.60n/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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50054362
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
Show InChI InChI=1S/C22H32N4O3/c1-29-20-10-3-2-8-18(20)24-16-14-23(15-17-24)11-6-7-13-26-21(27)19-9-4-5-12-25(19)22(26)28/h2-3,8,10,27H,4-7,9,11-17H2,1H3
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 8.60n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinities against Alpha-1 adrenergic receptor (alpha1 adrenoceptor) using [3H]-prazosin 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
5-hydroxytryptamine receptor 3A/3B


(Rattus norvegicus-RAT)		BDBM50083181
PNG
(6-Bromo-7-nitro-1H-benzoimidazole-4-carboxylic aci...)
Show SMILES [O-][N+](=O)c1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.3,;6.54,-8.93,;6.56,-10.6,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.37,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Show InChI InChI=1S/C15H16BrN5O3/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)
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 8.80n/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
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