Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50014652 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 |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50145598
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452111
(CHEMBL2112353)Show SMILES COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1 Show InChI InChI=1S/C29H34N2O3/c1-19-14-26-27(30-19)7-5-9-29(26)34-18-24(32)17-31-13-12-23(15-20(31)2)22-11-10-21-6-4-8-28(33-3)25(21)16-22/h4-11,14,16,20,23-24,30,32H,12-13,15,17-18H2,1-3H3/t20-,23+,24-/m0/s1 | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452114
(CHEMBL2112350)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H32N2O2/c1-19-14-26-27(29-19)8-5-9-28(26)32-18-25(31)17-30-13-12-24(15-20(30)2)23-11-10-21-6-3-4-7-22(21)16-23/h3-11,14,16,20,24-25,29,31H,12-13,15,17-18H2,1-2H3/t20-,24+,25-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50135246
((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452112
(CHEMBL2112356)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1 Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-8-7-20(13-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1 | PDB
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| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452113
(CHEMBL2112355)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1 Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-13-20(7-8-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452109
(CHEMBL2112358)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-31-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50135256
((S)-1-((2S,4R)-4-(4-methoxybenzo[b]thiophen-2-yl)-...)Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O3S/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3/t18-,19+,20-/m0/s1 | PDB
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Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452108
(CHEMBL2112357)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452110
(CHEMBL2112354)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1 Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-25(23)31-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-30-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452115
(CHEMBL2112352)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12 Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50145598
((R)-1-((3S,4R)-4-Benzo[b]thiophen-5-yl-2-methyl-pi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-26-21(14-19)9-11-31-26/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50145589
((R)-1-((3S,4R)-4-Benzofuran-5-yl-2-methyl-piperidi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1 Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-26(23)31-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-25-21(14-19)9-11-30-25/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50145589
((R)-1-((3S,4R)-4-Benzofuran-5-yl-2-methyl-piperidi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1 Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-26(23)31-16-22(29)15-28-10-8-20(13-18(28)2)19-6-7-25-21(14-19)9-11-30-25/h3-7,9,11-12,14,18,20,22,27,29H,8,10,13,15-16H2,1-2H3/t18-,20+,22+/m0/s1 | PDB
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Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50145600
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50145593
((R)-1-(4-Benzo[b]thiophen-3-yl-piperidin-1-yl)-3-(...)Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1csc2ccccc12 Show InChI InChI=1S/C24H26N2O2S/c27-18(15-28-23-6-3-5-22-20(23)8-11-25-22)14-26-12-9-17(10-13-26)21-16-29-24-7-2-1-4-19(21)24/h1-8,11,16-18,25,27H,9-10,12-15H2/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452112
(CHEMBL2112356)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1 Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-8-7-20(13-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50145601
((R)-1-(4-Benzo[b]thiophen-2-yl-piperidin-1-yl)-3-(...)Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H26N2O2S/c27-19(16-28-22-6-3-5-21-20(22)8-11-25-21)15-26-12-9-17(10-13-26)24-14-18-4-1-2-7-23(18)29-24/h1-8,11,14,17,19,25,27H,9-10,12-13,15-16H2/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452110
(CHEMBL2112354)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1 Show InChI InChI=1S/C26H30N2O3/c1-17-12-23-24(27-17)4-3-5-25(23)31-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-30-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1 | PDB
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| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50145600
((R)-1-((3S,4R)-4-Benzo[b]thiophen-4-yl-2-methyl-pi...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)6-4-7-25(23)30-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-8-26-22(21)10-12-31-26/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20+/m0/s1 | PDB
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PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452109
(CHEMBL2112358)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-23-24(27-17)4-3-5-25(23)30-16-22(29)15-28-10-8-21(13-18(28)2)20-7-6-19-9-11-31-26(19)14-20/h3-7,9,11-12,14,18,21-22,27,29H,8,10,13,15-16H2,1-2H3/t18-,21+,22-/m0/s1 | PDB
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PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452114
(CHEMBL2112350)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H32N2O2/c1-19-14-26-27(29-19)8-5-9-28(26)32-18-25(31)17-30-13-12-24(15-20(30)2)23-11-10-21-6-3-4-7-22(21)16-23/h3-11,14,16,20,24-25,29,31H,12-13,15,17-18H2,1-2H3/t20-,24+,25-/m0/s1 | PDB
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PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50135246
((S)-1-((2S,4R)-4-(benzo[b]thiophen-2-yl)-2-methylp...)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1 Show InChI InChI=1S/C26H30N2O2S/c1-17-12-22-23(27-17)7-5-8-24(22)30-16-21(29)15-28-11-10-20(13-18(28)2)26-14-19-6-3-4-9-25(19)31-26/h3-9,12,14,18,20-21,27,29H,10-11,13,15-16H2,1-2H3/t18-,20+,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452115
(CHEMBL2112352)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12 Show InChI InChI=1S/C26H30N2O3/c1-17-13-23-24(27-17)6-4-8-26(23)31-16-20(29)15-28-11-9-19(14-18(28)2)21-5-3-7-25-22(21)10-12-30-25/h3-8,10,12-13,18-20,27,29H,9,11,14-16H2,1-2H3/t18-,19+,20-/m0/s1 | PDB
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| CHEMBL
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| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452113
(CHEMBL2112355)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1 Show InChI InChI=1S/C27H32N2O2S/c1-17-16-32-27-13-20(7-8-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3/t19-,21+,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50452108
(CHEMBL2112357)Show SMILES C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12 Show InChI InChI=1S/C26H30N2O2S/c1-17-13-23-24(27-17)7-4-8-25(23)30-16-21(29)15-28-11-9-20(14-18(28)2)22-6-3-5-19-10-12-31-26(19)22/h3-8,10,12-13,18,20-21,27,29H,9,11,14-16H2,1-2H3/t18-,20+,21-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50452111
(CHEMBL2112353)Show SMILES COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1 Show InChI InChI=1S/C29H34N2O3/c1-19-14-26-27(30-19)7-5-9-29(26)34-18-24(32)17-31-13-12-23(15-20(31)2)22-11-10-21-6-4-8-28(33-3)25(21)16-22/h4-11,14,16,20,23-24,30,32H,12-13,15,17-18H2,1-3H3/t20-,23+,24-/m0/s1 | PDB
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50135256
((S)-1-((2S,4R)-4-(4-methoxybenzo[b]thiophen-2-yl)-...)Show SMILES COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1 Show InChI InChI=1S/C27H32N2O3S/c1-17-12-21-23(28-17)6-4-8-25(21)32-16-20(30)15-29-11-10-19(13-18(29)2)27-14-22-24(31-3)7-5-9-26(22)33-27/h4-9,12,14,18-20,28,30H,10-11,13,15-16H2,1-3H3/t18-,19+,20-/m0/s1 | PDB
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity was evaluated at 5-hydroxytryptamine 1A receptor labeled with [3H]-8-OH-DPAT |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50145601
((R)-1-(4-Benzo[b]thiophen-2-yl-piperidin-1-yl)-3-(...)Show SMILES O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C24H26N2O2S/c27-19(16-28-22-6-3-5-21-20(22)8-11-25-21)15-26-12-9-17(10-13-26)24-14-18-4-1-2-7-23(18)29-24/h1-8,11,14,17,19,25,27H,9-10,12-13,15-16H2/t19-/m1/s1 | PDB
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at 5-HT reuptake site labeled with [3H]-paroxetine |
Bioorg Med Chem Lett 14: 2653-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.088
BindingDB Entry DOI: 10.7270/Q2GF0SZH |
More data for this
Ligand-Target Pair | |
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