Found 22 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132532
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)Show SMILES COc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:22:23:29.30:27.26,(10.09,-2.78,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C27H34N6O2/c1-35-24-8-3-2-7-23(24)33-15-13-32(14-16-33)18-25-28-21-6-4-5-20(26(21)30-25)27(34)29-22-17-31-11-9-19(22)10-12-31/h2-8,19,22H,9-18H2,1H3,(H,28,30)(H,29,34) | PDB
UniProtKB/SwissProt
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132533
(2-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES CCCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:25:26:32.33:30.29,(14.62,-7.89,;14.22,-6.39,;12.73,-6,;12.34,-4.52,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.04,-8.12,;8.51,-8.09,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C30H40N6O2/c1-2-3-19-38-27-10-5-4-9-26(27)36-17-15-35(16-18-36)21-28-31-24-8-6-7-23(29(24)33-28)30(37)32-25-20-34-13-11-22(25)12-14-34/h4-10,22,25H,2-3,11-21H2,1H3,(H,31,33)(H,32,37) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132540
(2-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES Clc1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:21:22:28.29:26.25,(12.36,-6.78,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C26H31ClN6O/c27-19-3-1-4-20(15-19)33-13-11-32(12-14-33)17-24-28-22-6-2-5-21(25(22)30-24)26(34)29-23-16-31-9-7-18(23)8-10-31/h1-6,15,18,23H,7-14,16-17H2,(H,28,30)(H,29,34) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132536
(2-[4-(2-Ethoxy-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES CCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:23:24:30.31:28.27,(8.56,-2.78,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C28H36N6O2/c1-2-36-25-9-4-3-8-24(25)34-16-14-33(15-17-34)19-26-29-22-7-5-6-21(27(22)31-26)28(35)30-23-18-32-12-10-20(23)11-13-32/h3-9,20,23H,2,10-19H2,1H3,(H,29,31)(H,30,35) | PDB
KEGG
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| CHEMBL
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132539
(2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazol...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccccc3)[nH]c12 |TLB:2:3:9.10:7.6,(2.66,3.49,;1.33,2.71,;-.02,3.48,;-1.35,2.7,;-1.26,1.28,;-2.54,2.12,;-2,3.96,;-2.29,5.13,;-2.59,3.52,;-4.15,3.08,;-4.17,1.67,;1.34,1.17,;.01,.4,;.01,-1.15,;1.34,-1.92,;2.67,-1.15,;4.14,-1.63,;5.06,-.37,;6.6,-.37,;7.37,-1.71,;7.57,-2.94,;6.66,-4.53,;7.85,-5.51,;7.66,-4.18,;8.56,-2.69,;8.61,-6.84,;10.15,-6.84,;10.9,-8.17,;10.11,-9.53,;8.57,-9.5,;7.82,-8.17,;4.14,.88,;2.67,.4,)| Show InChI InChI=1S/C26H32N6O/c33-26(28-23-17-30-11-9-19(23)10-12-30)21-7-4-8-22-25(21)29-24(27-22)18-31-13-15-32(16-14-31)20-5-2-1-3-6-20/h1-8,19,23H,9-18H2,(H,27,29)(H,28,33) | PDB
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| CHEMBL
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132537
(2-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-ylmethyl)-1...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccc4OCOc4c3)[nH]c12 |TLB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.75,;-1.06,3.98,;-.97,2.56,;-2.25,3.39,;-1.72,5.24,;-2,6.4,;-2.3,4.79,;-3.86,4.36,;-3.87,2.95,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;7.85,-1.65,;6.95,-3.24,;8.13,-4.22,;7.95,-2.9,;8.84,-1.41,;8.89,-5.55,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.43,-9.38,;12.83,-8.76,;12.69,-7.23,;11.17,-6.9,;10.43,-5.55,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C27H32N6O3/c34-27(29-22-15-31-8-6-18(22)7-9-31)20-2-1-3-21-26(20)30-25(28-21)16-32-10-12-33(13-11-32)19-4-5-23-24(14-19)36-17-35-23/h1-5,14,18,22H,6-13,15-17H2,(H,28,30)(H,29,34) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132535
(2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(13.78,-6.79,;12.36,-6.79,;13.38,-8.04,;13.39,-5.55,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;6.6,-3.12,;7.51,-1.54,;7.3,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-2.07,5.35,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.79,;4.08,2.28,;8.49,-1.29,;7.6,-2.78,)| Show InChI InChI=1S/C27H31F3N6O/c28-27(29,30)19-3-1-4-20(15-19)36-13-11-35(12-14-36)17-24-31-22-6-2-5-21(25(22)33-24)26(37)32-23-16-34-9-7-18(23)8-10-34/h1-6,15,18,23H,7-14,16-17H2,(H,31,33)(H,32,37) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132538
(2-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)Show SMILES CCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:24:25:31.32:29.28,(10.11,-.12,;10.88,-1.45,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.13,)| Show InChI InChI=1S/C29H38N6O2/c1-2-18-37-26-9-4-3-8-25(26)35-16-14-34(15-17-35)20-27-30-23-7-5-6-22(28(23)32-27)29(36)31-24-19-33-12-10-21(24)11-13-33/h3-9,21,24H,2,10-20H2,1H3,(H,30,32)(H,31,36) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132536
(2-[4-(2-Ethoxy-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES CCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:23:24:30.31:28.27,(8.56,-2.78,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C28H36N6O2/c1-2-36-25-9-4-3-8-24(25)34-16-14-33(15-17-34)19-26-29-22-7-5-6-21(27(22)31-26)28(35)30-23-18-32-12-10-20(23)11-13-32/h3-9,20,23H,2,10-19H2,1H3,(H,29,31)(H,30,35) | PDB
UniProtKB/SwissProt
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132534
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-1H-benz...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4ccccc34)[nH]c12 |THB:2:3:7.6:9.10,(2.95,4.78,;1.62,4.01,;.28,4.76,;-1.07,3.98,;-.97,2.56,;-2.26,3.4,;-3.87,2.96,;-3.87,4.36,;-2.3,4.8,;-2,6.41,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.89,.91,;7.66,-.43,;7.86,-1.66,;6.95,-3.24,;8.14,-4.22,;7.96,-2.9,;8.85,-1.41,;8.9,-5.56,;8.1,-6.88,;8.87,-8.22,;10.41,-8.24,;11.18,-6.91,;12.72,-6.91,;13.49,-5.6,;12.74,-4.25,;11.21,-4.25,;10.44,-5.56,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C30H34N6O/c37-30(32-26-19-34-13-11-22(26)12-14-34)24-8-4-9-25-29(24)33-28(31-25)20-35-15-17-36(18-16-35)27-10-3-6-21-5-1-2-7-23(21)27/h1-10,22,26H,11-20H2,(H,31,33)(H,32,37) | PDB
UniProtKB/SwissProt
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Similars
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132531
(2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1...)Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(12.75,-6,;12.35,-4.53,;13.42,-3.43,;10.86,-4.13,;10.09,-5.44,;10.83,-6.79,;10.06,-8.13,;8.52,-8.1,;7.75,-6.77,;8.55,-5.44,;7.79,-4.11,;6.6,-3.13,;7.51,-1.54,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.88,;-1.42,4.1,;-1.32,2.68,;-2.61,3.52,;-2.07,5.36,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.8,;4.08,2.28,;8.5,-1.29,;7.61,-2.78,)| Show InChI InChI=1S/C29H38N6O2/c1-20(2)37-26-9-4-3-8-25(26)35-16-14-34(15-17-35)19-27-30-23-7-5-6-22(28(23)32-27)29(36)31-24-18-33-12-10-21(24)11-13-33/h3-9,20-21,24H,10-19H2,1-2H3,(H,30,32)(H,31,36) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132533
(2-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES CCCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:25:26:32.33:30.29,(14.62,-7.89,;14.22,-6.39,;12.73,-6,;12.34,-4.52,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.04,-8.12,;8.51,-8.09,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C30H40N6O2/c1-2-3-19-38-27-10-5-4-9-26(27)36-17-15-35(16-18-36)21-28-31-24-8-6-7-23(29(24)33-28)30(37)32-25-20-34-13-11-22(25)12-14-34/h4-10,22,25H,2-3,11-21H2,1H3,(H,31,33)(H,32,37) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132538
(2-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)Show SMILES CCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:24:25:31.32:29.28,(10.11,-.12,;10.88,-1.45,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.13,)| Show InChI InChI=1S/C29H38N6O2/c1-2-18-37-26-9-4-3-8-25(26)35-16-14-34(15-17-35)20-27-30-23-7-5-6-22(28(23)32-27)29(36)31-24-19-33-12-10-21(24)11-13-33/h3-9,21,24H,2,10-20H2,1H3,(H,30,32)(H,31,36) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132531
(2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1...)Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(12.75,-6,;12.35,-4.53,;13.42,-3.43,;10.86,-4.13,;10.09,-5.44,;10.83,-6.79,;10.06,-8.13,;8.52,-8.1,;7.75,-6.77,;8.55,-5.44,;7.79,-4.11,;6.6,-3.13,;7.51,-1.54,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.88,;-1.42,4.1,;-1.32,2.68,;-2.61,3.52,;-2.07,5.36,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.8,;4.08,2.28,;8.5,-1.29,;7.61,-2.78,)| Show InChI InChI=1S/C29H38N6O2/c1-20(2)37-26-9-4-3-8-25(26)35-16-14-34(15-17-35)19-27-30-23-7-5-6-22(28(23)32-27)29(36)31-24-18-33-12-10-21(24)11-13-33/h3-9,20-21,24H,10-19H2,1-2H3,(H,30,32)(H,31,36) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132530
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4nc[nH]c34)[nH]c12 |THB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.76,;-1.06,3.98,;-.97,2.56,;-2.25,3.4,;-3.87,2.95,;-3.86,4.36,;-2.3,4.79,;-2,6.4,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;8.84,-1.41,;7.95,-2.9,;8.13,-4.22,;6.95,-3.24,;7.86,-1.65,;8.89,-5.56,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.17,-6.9,;12.69,-6.6,;12.87,-5.08,;11.48,-4.44,;10.43,-5.56,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C27H32N8O/c36-27(31-22-15-33-9-7-18(22)8-10-33)19-3-1-5-21-25(19)32-24(30-21)16-34-11-13-35(14-12-34)23-6-2-4-20-26(23)29-17-28-20/h1-6,17-18,22H,7-16H2,(H,28,29)(H,30,32)(H,31,36) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132532
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)Show SMILES COc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:22:23:29.30:27.26,(10.09,-2.78,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C27H34N6O2/c1-35-24-8-3-2-7-23(24)33-15-13-32(14-16-33)18-25-28-21-6-4-5-20(26(21)30-25)27(34)29-22-17-31-11-9-19(22)10-12-31/h2-8,19,22H,9-18H2,1H3,(H,28,30)(H,29,34) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132537
(2-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-ylmethyl)-1...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccc4OCOc4c3)[nH]c12 |TLB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.75,;-1.06,3.98,;-.97,2.56,;-2.25,3.39,;-1.72,5.24,;-2,6.4,;-2.3,4.79,;-3.86,4.36,;-3.87,2.95,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;7.85,-1.65,;6.95,-3.24,;8.13,-4.22,;7.95,-2.9,;8.84,-1.41,;8.89,-5.55,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.43,-9.38,;12.83,-8.76,;12.69,-7.23,;11.17,-6.9,;10.43,-5.55,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C27H32N6O3/c34-27(29-22-15-31-8-6-18(22)7-9-31)20-2-1-3-21-26(20)30-25(28-21)16-32-10-12-33(13-11-32)19-4-5-23-24(14-19)36-17-35-23/h1-5,14,18,22H,6-13,15-17H2,(H,28,30)(H,29,34) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132539
(2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazol...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccccc3)[nH]c12 |TLB:2:3:9.10:7.6,(2.66,3.49,;1.33,2.71,;-.02,3.48,;-1.35,2.7,;-1.26,1.28,;-2.54,2.12,;-2,3.96,;-2.29,5.13,;-2.59,3.52,;-4.15,3.08,;-4.17,1.67,;1.34,1.17,;.01,.4,;.01,-1.15,;1.34,-1.92,;2.67,-1.15,;4.14,-1.63,;5.06,-.37,;6.6,-.37,;7.37,-1.71,;7.57,-2.94,;6.66,-4.53,;7.85,-5.51,;7.66,-4.18,;8.56,-2.69,;8.61,-6.84,;10.15,-6.84,;10.9,-8.17,;10.11,-9.53,;8.57,-9.5,;7.82,-8.17,;4.14,.88,;2.67,.4,)| Show InChI InChI=1S/C26H32N6O/c33-26(28-23-17-30-11-9-19(23)10-12-30)21-7-4-8-22-25(21)29-24(27-22)18-31-13-15-32(16-14-31)20-5-2-1-3-6-20/h1-8,19,23H,9-18H2,(H,27,29)(H,28,33) | PDB
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Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B
(Rattus norvegicus-RAT) | BDBM50132530
(2-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-ylmethyl]...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4nc[nH]c34)[nH]c12 |THB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.76,;-1.06,3.98,;-.97,2.56,;-2.25,3.4,;-3.87,2.95,;-3.86,4.36,;-2.3,4.79,;-2,6.4,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;8.84,-1.41,;7.95,-2.9,;8.13,-4.22,;6.95,-3.24,;7.86,-1.65,;8.89,-5.56,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.17,-6.9,;12.69,-6.6,;12.87,-5.08,;11.48,-4.44,;10.43,-5.56,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C27H32N8O/c36-27(31-22-15-33-9-7-18(22)8-10-33)19-3-1-5-21-25(19)32-24(30-21)16-34-11-13-35(14-12-34)23-6-2-4-20-26(23)29-17-28-20/h1-6,17-18,22H,7-16H2,(H,28,29)(H,30,32)(H,31,36) | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Binding affinity for 5-HT3 receptor by displacement of [3H]-LY 278584 in rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132534
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-1H-benz...)Show SMILES O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4ccccc34)[nH]c12 |THB:2:3:7.6:9.10,(2.95,4.78,;1.62,4.01,;.28,4.76,;-1.07,3.98,;-.97,2.56,;-2.26,3.4,;-3.87,2.96,;-3.87,4.36,;-2.3,4.8,;-2,6.41,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.89,.91,;7.66,-.43,;7.86,-1.66,;6.95,-3.24,;8.14,-4.22,;7.96,-2.9,;8.85,-1.41,;8.9,-5.56,;8.1,-6.88,;8.87,-8.22,;10.41,-8.24,;11.18,-6.91,;12.72,-6.91,;13.49,-5.6,;12.74,-4.25,;11.21,-4.25,;10.44,-5.56,;4.43,2.16,;2.96,1.68,)| Show InChI InChI=1S/C30H34N6O/c37-30(32-26-19-34-13-11-22(26)12-14-34)24-8-4-9-25-29(24)33-28(31-25)20-35-15-17-36(18-16-35)27-10-3-6-21-5-1-2-7-23(21)27/h1-10,22,26H,11-20H2,(H,31,33)(H,32,37) | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132540
(2-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)Show SMILES Clc1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:21:22:28.29:26.25,(12.36,-6.78,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)| Show InChI InChI=1S/C26H31ClN6O/c27-19-3-1-4-20(15-19)33-13-11-32(12-14-33)17-24-28-22-6-2-5-21(25(22)30-24)26(34)29-23-16-31-9-7-18(23)8-10-31/h1-6,15,18,23H,7-14,16-17H2,(H,28,30)(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50132535
(2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-ylmeth...)Show SMILES FC(F)(F)c1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(13.78,-6.79,;12.36,-6.79,;13.38,-8.04,;13.39,-5.55,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;6.6,-3.12,;7.51,-1.54,;7.3,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-2.07,5.35,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.79,;4.08,2.28,;8.49,-1.29,;7.6,-2.78,)| Show InChI InChI=1S/C27H31F3N6O/c28-27(29,30)19-3-1-4-20(15-19)36-13-11-35(12-14-36)17-24-31-22-6-2-5-21(25(22)33-24)26(37)32-23-16-34-9-7-18(23)8-10-34/h1-6,15,18,23H,7-14,16-17H2,(H,31,33)(H,32,37) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cerebral cortex membranes |
Bioorg Med Chem Lett 13: 3177-80 (2003)
BindingDB Entry DOI: 10.7270/Q2GH9HCP |
More data for this
Ligand-Target Pair | |
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