Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50017772 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 1A
(Homo sapiens (Human)) | BDBM50186245
((2S)-1-[(adamantan-1-yl)carbonyl]-N-{4-[4-(2-metho...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |r,TLB:24:26:29.28.33:31,THB:24:26:29:33.32.31,27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26| Show InChI InChI=1S/C31H46N4O3/c1-38-28-9-3-2-7-26(28)34-15-13-33(14-16-34)11-5-4-10-32-29(36)27-8-6-12-35(27)30(37)31-20-23-17-24(21-31)19-25(18-23)22-31/h2-3,7,9,23-25,27H,4-6,8,10-22H2,1H3,(H,32,36)/t23?,24?,25?,27-,31?/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186254
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((R)-1-(4-(4-(2-me...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 Show InChI InChI=1S/C28H40N4O4/c1-36-25-7-3-2-6-24(25)31-14-12-30(13-15-31)10-4-5-11-32-27(34)19-23(28(32)35)29-26(33)18-22-17-20-8-9-21(22)16-20/h2-3,6-7,20-23H,4-5,8-19H2,1H3,(H,29,33)/t20?,21?,22?,23-/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186254
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((R)-1-(4-(4-(2-me...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 Show InChI InChI=1S/C28H40N4O4/c1-36-25-7-3-2-6-24(25)31-14-12-30(13-15-31)10-4-5-11-32-27(34)19-23(28(32)35)29-26(33)18-22-17-20-8-9-21(22)16-20/h2-3,6-7,20-23H,4-5,8-19H2,1H3,(H,29,33)/t20?,21?,22?,23-/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186247
(CHEMBL210296 | N-[(3R)-1-{4-[4-(2-methoxyphenyl)pi...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |TLB:22:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24| Show InChI InChI=1S/C30H42N4O4/c1-38-26-7-3-2-6-25(26)33-12-10-32(11-13-33)8-4-5-9-34-27(35)17-24(28(34)36)31-29(37)30-18-21-14-22(19-30)16-23(15-21)20-30/h2-3,6-7,21-24H,4-5,8-20H2,1H3,(H,31,37)/t21?,22?,23?,24-,30?/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186232
((2S)-2-(2-(bicyclo[2.2.1]heptan-2-yl)acetamido)-N1...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)CC2CC3CCC2C3)CC1 Show InChI InChI=1S/C28H43N5O4/c1-37-25-7-3-2-6-24(25)33-14-12-32(13-15-33)11-5-4-10-30-28(36)23(19-26(29)34)31-27(35)18-22-17-20-8-9-21(22)16-20/h2-3,6-7,20-23H,4-5,8-19H2,1H3,(H2,29,34)(H,30,36)(H,31,35)/t20?,21?,22?,23-/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186235
((2S)-1-(2-(bicyclo[2.2.1]heptan-2-yl)acetyl)-N-(4-...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2CC3CCC2C3)CC1 Show InChI InChI=1S/C29H42N4O4/c1-37-26-7-3-2-6-24(26)32-16-14-31(15-17-32)13-5-4-12-30-29(36)25-10-11-27(34)33(25)28(35)20-23-19-21-8-9-22(23)18-21/h2-3,6-7,21-23,25H,4-5,8-20H2,1H3,(H,30,36)/t21?,22?,23?,25-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186246
((2S)-1-(2-(bicyclo[2.2.1]heptan-2-yl)acetyl)-N-(4-...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1 Show InChI InChI=1S/C29H44N4O3/c1-36-27-9-3-2-7-25(27)32-17-15-31(16-18-32)13-5-4-12-30-29(35)26-8-6-14-33(26)28(34)21-24-20-22-10-11-23(24)19-22/h2-3,7,9,22-24,26H,4-6,8,10-21H2,1H3,(H,30,35)/t22?,23?,24?,26-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186236
(Adamantane-1-carboxylic acid ((S)-1-{4-[4-(2-metho...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:22:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24| Show InChI InChI=1S/C30H42N4O4/c1-38-26-7-3-2-6-25(26)33-12-10-32(11-13-33)8-4-5-9-34-27(35)17-24(28(34)36)31-29(37)30-18-21-14-22(19-30)16-23(15-21)20-30/h2-3,6-7,21-24H,4-5,8-20H2,1H3,(H,31,37)/t21?,22?,23?,24-,30?/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50001859
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186233
((2R)-1-(2-(bicyclo[2.2.1]heptan-2-yl)acetyl)-N-(4-...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1 Show InChI InChI=1S/C29H44N4O3/c1-36-27-9-3-2-7-25(27)32-17-15-31(16-18-32)13-5-4-12-30-29(35)26-8-6-14-33(26)28(34)21-24-20-22-10-11-23(24)19-22/h2-3,7,9,22-24,26H,4-6,8,10-21H2,1H3,(H,30,35)/t22?,23?,24?,26-/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186255
((S)-1-(cyclohexanecarbonyl)-N-(4-(4-(2-methoxyphen...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C27H40N4O4/c1-35-24-12-6-5-11-22(24)30-19-17-29(18-20-30)16-8-7-15-28-26(33)23-13-14-25(32)31(23)27(34)21-9-3-2-4-10-21/h5-6,11-12,21,23H,2-4,7-10,13-20H2,1H3,(H,28,33)/t23-/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186252
((R)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C3CCCCC3)C2=O)CC1 Show InChI InChI=1S/C26H38N4O4/c1-34-23-12-6-5-11-22(23)29-17-15-28(16-18-29)13-7-8-14-30-24(31)19-21(26(30)33)27-25(32)20-9-3-2-4-10-20/h5-6,11-12,20-21H,2-4,7-10,13-19H2,1H3,(H,27,32)/t21-/m1/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186243
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((S)-1-(4-(4-(2-me...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:24:25:28.29:31| Show InChI InChI=1S/C28H40N4O4/c1-36-25-7-3-2-6-24(25)31-14-12-30(13-15-31)10-4-5-11-32-27(34)19-23(28(32)35)29-26(33)18-22-17-20-8-9-21(22)16-20/h2-3,6-7,20-23H,4-5,8-19H2,1H3,(H,29,33)/t20?,21?,22?,23-/m0/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186239
((S)-N-(4-amino-1-(4-(4-(2-methoxyphenyl)piperazin-...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2CCCCC2)CC1 Show InChI InChI=1S/C26H41N5O4/c1-35-23-12-6-5-11-22(23)31-17-15-30(16-18-31)14-8-7-13-28-26(34)21(19-24(27)32)29-25(33)20-9-3-2-4-10-20/h5-6,11-12,20-21H,2-4,7-10,13-19H2,1H3,(H2,27,32)(H,28,34)(H,29,33)/t21-/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186234
((2R)-1-[(adamantan-1-yl)carbonyl]-N-{4-[4-(2-metho...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26| Show InChI InChI=1S/C31H46N4O3/c1-38-28-9-3-2-7-26(28)34-15-13-33(14-16-34)11-5-4-10-32-29(36)27-8-6-12-35(27)30(37)31-20-23-17-24(21-31)19-25(18-23)22-31/h2-3,7,9,23-25,27H,4-6,8,10-22H2,1H3,(H,32,36)/t23?,24?,25?,27-,31?/m1/s1 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186253
((S)-1-(cyclohexanecarbonyl)-N-(4-(4-(2-methoxyphen...)Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 |r| Show InChI InChI=1S/C27H42N4O3/c1-34-25-14-6-5-12-23(25)30-20-18-29(19-21-30)16-8-7-15-28-26(32)24-13-9-17-31(24)27(33)22-10-3-2-4-11-22/h5-6,12,14,22,24H,2-4,7-11,13,15-21H2,1H3,(H,28,32)/t24-/m0/s1 | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186244
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r| Show InChI InChI=1S/C26H38N4O4/c1-34-23-12-6-5-11-22(23)29-17-15-28(16-18-29)13-7-8-14-30-24(31)19-21(26(30)33)27-25(32)20-9-3-2-4-10-20/h5-6,11-12,20-21H,2-4,7-10,13-19H2,1H3,(H,27,32)/t21-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186248
(2-(bicyclo[2.2.1]heptan-2-yl)-N-((S)-1-(3-(4-(2-me...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:23:24:27.28:30| Show InChI InChI=1S/C27H38N4O4/c1-35-24-6-3-2-5-23(24)30-13-11-29(12-14-30)9-4-10-31-26(33)18-22(27(31)34)28-25(32)17-21-16-19-7-8-20(21)15-19/h2-3,5-6,19-22H,4,7-18H2,1H3,(H,28,32)/t19?,20?,21?,22-/m0/s1 | PDB
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UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186240
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1 Show InChI InChI=1S/C25H36N4O4/c1-33-22-11-5-4-10-21(22)28-16-14-27(15-17-28)12-6-7-13-29-23(30)18-20(25(29)32)26-24(31)19-8-2-3-9-19/h4-5,10-11,19-20H,2-3,6-9,12-18H2,1H3,(H,26,31)/t20-/m0/s1 | PDB
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UniChem
Similars
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186249
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C26H32N4O4/c1-34-23-12-6-5-11-22(23)29-17-15-28(16-18-29)13-7-8-14-30-24(31)19-21(26(30)33)27-25(32)20-9-3-2-4-10-20/h2-6,9-12,21H,7-8,13-19H2,1H3,(H,27,32)/t21-/m0/s1 | PDB
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186250
(Adamantane-1-carboxylic acid ((S)-1-{3-[4-(2-metho...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:26:27:25.24.30:31,THB:28:27:24:30.29.31,28:29:26.27.32:24,26:25:27.32.28:31| Show InChI InChI=1S/C29H40N4O4/c1-37-25-6-3-2-5-24(25)32-11-9-31(10-12-32)7-4-8-33-26(34)16-23(27(33)35)30-28(36)29-17-20-13-21(18-29)15-22(14-20)19-29/h2-3,5-6,20-23H,4,7-19H2,1H3,(H,30,36)/t20?,21?,22?,23-,29?/m0/s1 | PDB
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UniChem
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PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186242
((S)-N-(1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)but...)Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r| Show InChI InChI=1S/C21H30N4O4/c1-16(26)22-17-15-20(27)25(21(17)28)10-6-5-9-23-11-13-24(14-12-23)18-7-3-4-8-19(18)29-2/h3-4,7-8,17H,5-6,9-15H2,1-2H3,(H,22,26)/t17-/m0/s1 | PDB
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PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186251
((S)-N-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)pro...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1 Show InChI InChI=1S/C24H34N4O4/c1-32-21-10-5-4-9-20(21)27-15-13-26(14-16-27)11-6-12-28-22(29)17-19(24(28)31)25-23(30)18-7-2-3-8-18/h4-5,9-10,18-19H,2-3,6-8,11-17H2,1H3,(H,25,30)/t19-/m0/s1 | PDB
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UniChem
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PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186241
((S)-N-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)pro...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r| Show InChI InChI=1S/C25H36N4O4/c1-33-22-11-6-5-10-21(22)28-16-14-27(15-17-28)12-7-13-29-23(30)18-20(25(29)32)26-24(31)19-8-3-2-4-9-19/h5-6,10-11,19-20H,2-4,7-9,12-18H2,1H3,(H,26,31)/t20-/m0/s1 | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186238
((S)-N-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)pro...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1 Show InChI InChI=1S/C25H30N4O4/c1-33-22-11-6-5-10-21(22)28-16-14-27(15-17-28)12-7-13-29-23(30)18-20(25(29)32)26-24(31)19-8-3-2-4-9-19/h2-6,8-11,20H,7,12-18H2,1H3,(H,26,31)/t20-/m0/s1 | PDB
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PC cid
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UniChem
Similars
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PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50186237
((S)-N-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)pro...)Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r| Show InChI InChI=1S/C20H28N4O4/c1-15(25)21-16-14-19(26)24(20(16)27)9-5-8-22-10-12-23(13-11-22)17-6-3-4-7-18(17)28-2/h3-4,6-7,16H,5,8-14H2,1-2H3,(H,21,25)/t16-/m0/s1 | PDB
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PC cid
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UniChem
Similars
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PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I et II
Curated by ChEMBL
| Assay Description
Affinity for 5HT1A receptor |
Bioorg Med Chem Lett 16: 3406-10 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.035
BindingDB Entry DOI: 10.7270/Q2542N6V |
More data for this
Ligand-Target Pair | |
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