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11 similar compounds to monomer 50145347

Compile data set for download or QSAR
Wt: 419.4
BDBM50451852
Wt: 431.5
BDBM50145332
Wt: 419.4
BDBM50145341
Wt: 435.9
BDBM50145342
Wt: 433.5
BDBM50145344
Wt: 469.4
BDBM50145346
Wt: 419.4
BDBM50145349
Wt: 470.3
BDBM50145355
Wt: 437.4
BDBM50145356
Wt: 426.5
BDBM50145357
Wt: 419.4
BDBM50366907

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 50451852,50145332,50145341,50145342,50145344,50145346,50145349,50145355,50145356,50145357,50366907   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145355
PNG
(1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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0.280n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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0.300n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145342
PNG
(1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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0.380n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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0.760n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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0.980n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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0.990n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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3.80n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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6.70n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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7n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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8.60n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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15n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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15n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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16n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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17n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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25n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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26n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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26n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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26n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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31n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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48n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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57n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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65n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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73n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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75n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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101n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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122n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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130n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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130n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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134n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145342
PNG
(1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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145n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50145355
PNG
(1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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165n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50145346
PNG
(1-{2-[4-(6-Trifluoromethyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(ccc34)C(F)(F)F)OCCc2c1
Show InChI InChI=1S/C26H26F3N3O2/c27-26(28,29)19-2-4-21-22(15-31-23(21)14-19)16-5-9-32(10-6-16)11-7-24-20-3-1-18(25(30)33)13-17(20)8-12-34-24/h1-5,13-15,24,31H,6-12H2,(H2,30,33)
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190n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50451852
PNG
(CHEMBL1159649)
Show SMILES NC(=O)c1ccc2[C@@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m1/s1
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199n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145332
PNG
(1-{2-[4-(5-Methoxy-1H-indol-3-yl)-3,6-dihydro-2H-p...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(CCC4OCCc5cc(ccc45)C(N)=O)CC3)c2c1
Show InChI InChI=1S/C26H29N3O3/c1-31-20-3-5-24-22(15-20)23(16-28-24)17-6-10-29(11-7-17)12-8-25-21-4-2-19(26(27)30)14-18(21)9-13-32-25/h2-6,14-16,25,28H,7-13H2,1H3,(H2,27,30)
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316n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50366907
PNG
(CHEMBL1169435)
Show SMILES NC(=O)c1ccc2[C@H](CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)/t23-/m0/s1
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387n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145356
PNG
(1-{2-[4-(6,7-Difluoro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)c(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25F2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145344
PNG
(1-{2-[4-(6-Fluoro-1-methyl-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Cn1cc(C2=CCN(CCC3OCCc4cc(ccc34)C(N)=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C26H28FN3O2/c1-29-16-23(22-5-3-20(27)15-24(22)29)17-6-10-30(11-7-17)12-8-25-21-4-2-19(26(28)31)14-18(21)9-13-32-25/h2-6,14-16,25H,7-13H2,1H3,(H2,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145355
PNG
(1-{2-[4-(6,7-Dichloro-1H-indol-3-yl)-3,6-dihydro-2...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(Cl)c(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H25Cl2N3O2/c26-21-4-3-19-20(14-29-24(19)23(21)27)15-5-9-30(10-6-15)11-7-22-18-2-1-17(25(28)31)13-16(18)8-12-32-22/h1-5,13-14,22,29H,6-12H2,(H2,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145341
PNG
(1-{2-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-23-21(14-19)22(15-28-23)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145342
PNG
(1-{2-[4-(6-Chloro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(Cl)ccc34)OCCc2c1
Show InChI InChI=1S/C25H26ClN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145349
PNG
(1-{2-[4-(7-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-py...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(F)cccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-22-3-1-2-20-21(15-28-24(20)22)16-6-10-29(11-7-16)12-8-23-19-5-4-18(25(27)30)14-17(19)9-13-31-23/h1-6,14-15,23,28H,7-13H2,(H2,27,30)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50145357
PNG
(1-{2-[4-(7-Cyano-1H-indol-3-yl)-3,6-dihydro-2H-pyr...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4c(cccc34)C#N)OCCc2c1
Show InChI InChI=1S/C26H26N4O2/c27-15-20-2-1-3-22-23(16-29-25(20)22)17-6-10-30(11-7-17)12-8-24-21-5-4-19(26(28)31)14-18(21)9-13-32-24/h1-6,14,16,24,29H,7-13H2,(H2,28,31)
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>1.00E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Co. Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand


Bioorg Med Chem Lett 14: 2469-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.003
BindingDB Entry DOI: 10.7270/Q2057GG2
More data for this
Ligand-Target Pair
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