Found 188 hits with Last Name = 'bueno' and Initial = 'ab' 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)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/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) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210638
(1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpipe...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9| Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210640
((1R)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13| Show InChI InChI=1S/C27H30N4O2/c1-18-16-31(25-4-2-3-20-13-19(15-28)5-7-23(20)25)12-11-30(18)10-9-26-24-8-6-21(27(29)32)14-22(24)17-33-26/h2-7,13-14,18,24,26H,8-12,16-17H2,1H3,(H2,29,32)/t18-,24?,26+/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210640
((1R)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13| Show InChI InChI=1S/C27H30N4O2/c1-18-16-31(25-4-2-3-20-13-19(15-28)5-7-23(20)25)12-11-30(18)10-9-26-24-8-6-21(27(29)32)14-22(24)17-33-26/h2-7,13-14,18,24,26H,8-12,16-17H2,1H3,(H2,29,32)/t18-,24?,26+/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210641
((S)-1-(2-((S)-4-(6-fluoronaphthalen-2-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(24-6-3-19-15-23(28)5-2-20(19)16-24)12-11-30(18)10-8-26-25-7-4-22(27(29)32)14-21(25)9-13-33-26/h2-7,14-16,18,26H,8-13,17H2,1H3,(H2,29,32)/t18-,26-/m0/s1 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16250
(CHEMBL290001 | N-(tert-butoxycarbonyl)-L-valyl-N-[...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C37H63N5O7S/c1-22(2)19-28(29(43)20-25(7)32(44)41-30(23(3)4)34(46)38-21-26-15-13-12-14-16-26)40-33(45)27(17-18-50-11)39-35(47)31(24(5)6)42-36(48)49-37(8,9)10/h12-16,22-25,27-31,43H,17-21H2,1-11H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)/t25-,27+,28+,29+,30+,31+/m1/s1 | PDB
MMDB
KEGG
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line. |
Bioorg Med Chem Lett 14: 239-43 (2003)
BindingDB Entry DOI: 10.7270/Q2MW2HP3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210633
((S)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26+/m1/s1 | PDB
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50138784
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
Similars
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly, SA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 3 was determined |
J Med Chem 47: 456-66 (2004)
Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210638
(1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpipe...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9| Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1 | PDB
Reactome pathway
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| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210633
((S)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26+/m1/s1 | PDB
Reactome pathway
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210639
((R)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26-/m1/s1 | PDB
KEGG
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Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/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) | PDB
Reactome pathway
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Similars
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210636
((S)-1-(2-(4-(6-fluoronaphthalen-2-yl)piperazin-1-y...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 Show InChI InChI=1S/C26H28FN3O2/c27-22-4-1-19-17-23(5-2-18(19)16-22)30-12-10-29(11-13-30)9-7-25-24-6-3-21(26(28)31)15-20(24)8-14-32-25/h1-6,15-17,25H,7-14H2,(H2,28,31)/t25-/m0/s1 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210634
((1R)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25+/m0/s1 | PDB
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| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210636
((S)-1-(2-(4-(6-fluoronaphthalen-2-yl)piperazin-1-y...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc4cc(F)ccc4c3)OCCc2c1 Show InChI InChI=1S/C26H28FN3O2/c27-22-4-1-19-17-23(5-2-18(19)16-22)30-12-10-29(11-13-30)9-7-25-24-6-3-21(26(28)31)15-20(24)8-14-32-25/h1-6,15-17,25H,7-14H2,(H2,28,31)/t25-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210634
((1R)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25+/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210641
((S)-1-(2-((S)-4-(6-fluoronaphthalen-2-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(24-6-3-19-15-23(28)5-2-20(19)16-24)12-11-30(18)10-8-26-25-7-4-22(27(29)32)14-21(25)9-13-33-26/h2-7,14-16,18,26H,8-13,17H2,1H3,(H2,29,32)/t18-,26-/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50138784
((1R,2S,3R)-2-((S)-Amino-carboxy-methyl)-3-hydroxy-...)Show SMILES N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly, SA
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor 2 was determined |
J Med Chem 47: 456-66 (2004)
Article DOI: 10.1021/jm030967o
BindingDB Entry DOI: 10.7270/Q2K936Z5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/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) | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210638
(1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpipe...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9| Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1 | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210634
((1R)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25+/m0/s1 | PDB
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210633
((S)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26+/m1/s1 | PDB
Reactome pathway
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210639
((R)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26-/m1/s1 | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50056272
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly, S.A.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu2 receptors |
J Med Chem 48: 5305-20 (2005)
Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210640
((1R)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(ccc12)C#N |w:17.17,c:15,t:13| Show InChI InChI=1S/C27H30N4O2/c1-18-16-31(25-4-2-3-20-13-19(15-28)5-7-23(20)25)12-11-30(18)10-9-26-24-8-6-21(27(29)32)14-22(24)17-33-26/h2-7,13-14,18,24,26H,8-12,16-17H2,1H3,(H2,29,32)/t18-,24?,26+/m0/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50210639
((R)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26-/m1/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210635
((S)-1-(2-(4-(6-cyanonaphthalen-1-yl)piperazin-1-yl...)Show SMILES NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1 Show InChI InChI=1S/C27H28N4O2/c28-18-19-4-6-23-20(16-19)2-1-3-25(23)31-13-11-30(12-14-31)10-8-26-24-7-5-22(27(29)32)17-21(24)9-15-33-26/h1-7,16-17,26H,8-15H2,(H2,29,32)/t26-/m0/s1 | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210639
((R)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26-/m1/s1 | PDB
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| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210633
((S)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26+/m1/s1 | PDB
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| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210639
((R)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26-/m1/s1 | PDB
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210634
((1R)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25+/m0/s1 | PDB
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| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210637
((1S)-1-(2-((S)-4-(6-fluoronaphthalen-1-yl)-2-methy...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13| Show InChI InChI=1S/C26H30FN3O2/c1-17-15-30(24-4-2-3-18-14-21(27)6-8-22(18)24)12-11-29(17)10-9-25-23-7-5-19(26(28)31)13-20(23)16-32-25/h2-6,8,13-14,17,23,25H,7,9-12,15-16H2,1H3,(H2,28,31)/t17-,23?,25-/m0/s1 | PDB
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| 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210633
((S)-1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methyl...)Show SMILES C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26+/m1/s1 | PDB
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| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 3
(Homo sapiens (Human)) | BDBM50056272
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 | PDB
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly, S.A.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]LY-341,495 binding to recombinant human mGlu3 receptors |
J Med Chem 48: 5305-20 (2005)
Article DOI: 10.1021/jm050235r
BindingDB Entry DOI: 10.7270/Q2WM1F5W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/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) | PDB
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| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50210638
(1-(2-((R)-4-(6-fluoronaphthalen-1-yl)-2-methylpipe...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12 |w:9.9| Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(25-4-2-3-19-16-22(28)6-8-23(19)25)13-12-30(18)11-9-26-24-7-5-21(27(29)32)15-20(24)10-14-33-26/h2-8,15-16,18,26H,9-14,17H2,1H3,(H2,29,32)/t18-,26?/m1/s1 | PDB
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| 281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50210642
((S)-1-(2-((S)-4-(6-cyanonaphthalen-1-yl)-2-methylp...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N Show InChI InChI=1S/C28H30N4O2/c1-19-18-32(26-4-2-3-21-15-20(17-29)5-7-24(21)26)13-12-31(19)11-9-27-25-8-6-23(28(30)33)16-22(25)10-14-34-27/h2-8,15-16,19,27H,9-14,18H2,1H3,(H2,30,33)/t19-,27-/m0/s1 | PDB
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| 287 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50210641
((S)-1-(2-((S)-4-(6-fluoronaphthalen-2-yl)-2-methyl...)Show SMILES C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1 Show InChI InChI=1S/C27H30FN3O2/c1-18-17-31(24-6-3-19-15-23(28)5-2-20(19)16-24)12-11-30(18)10-8-26-25-7-4-22(27(29)32)14-21(25)9-13-33-26/h2-7,14-16,18,26H,8-13,17H2,1H3,(H2,29,32)/t18-,26-/m0/s1 | PDB
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| 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly SA
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A expressed in LM(tk-) cells |
Bioorg Med Chem Lett 17: 3344-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.101
BindingDB Entry DOI: 10.7270/Q20V8CG3 |
More data for this
Ligand-Target Pair | |
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