Found 301 hits of ki data for polymerid = 3737 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
Reactome pathway KEGG
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| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
Reactome pathway KEGG
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| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Binding affinity was determined against 5-hydroxytryptamine 1E receptor in human cortical homogenate |
J Med Chem 33: 755-8 (1990)
BindingDB Entry DOI: 10.7270/Q2PG1QPP |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article PubMed
| 6.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50091438
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+ | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity for 5-hydroxytryptamine 1E receptor was determined |
Bioorg Med Chem Lett 11: 2177-80 (2001)
BindingDB Entry DOI: 10.7270/Q2BP023S |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article PubMed
| 7.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50456745
(CHEMBL4207302)Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9-/m0/s1 | PDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
| Article PubMed
| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of the Philippines
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis |
J Nat Prod 80: 2360-2370 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00317 BindingDB Entry DOI: 10.7270/Q24F1TB4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50456743
(CHEMBL4217810)Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9+/m1/s1 | PDB
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UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of the Philippines
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis |
J Nat Prod 80: 2360-2370 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00317 BindingDB Entry DOI: 10.7270/Q24F1TB4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50456726
(CHEMBL4218231)Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9-/m1/s1 | PDB
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| PC cid PC sid UniChem
| Article PubMed
| >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of the Philippines
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysis |
J Nat Prod 80: 2360-2370 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00317 BindingDB Entry DOI: 10.7270/Q24F1TB4 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article PubMed
| 11.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM84994
(CAS_163091 | NSC_163091 | ORG-5222)Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3 | PDB
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50016479
((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6| Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1 | PDB
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| Article PubMed
| 42.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50016479
((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6| Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50081701
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3 | PDB
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| | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46WX8 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| Article PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM81446
(CAS_60-79-7 | ERGONOVINE | NSC_104873)Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24) | PDB
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| PC cid PC sid UniChem
Similars
| Article PubMed
| 87.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM81446
(CAS_60-79-7 | ERGONOVINE | NSC_104873)Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22| Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24) | PDB
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| PC cid PC sid UniChem
Similars
| PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50330860
(CHEMBL1201356 | METHYLERGONOVINE | Methylergometri...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:23| Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | PDB
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| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50330860
(CHEMBL1201356 | METHYLERGONOVINE | Methylergometri...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:23| Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | PDB
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| Article PubMed
| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 1E receptor |
J Med Chem 45: 4344-9 (2002)
BindingDB Entry DOI: 10.7270/Q2765G2F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50449038
(CHEMBL3126204 | US9212144, 15 (Ex. 17))Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23) | PDB
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| Article PubMed
| <100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by scintillation counting method |
J Med Chem 60: 7146-7165 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM81781
(5-HT,a-Me | 5-HT,omega-N-Me)Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM81781
(5-HT,a-Me | 5-HT,omega-N-Me)Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3 | PDB
Reactome pathway KEGG
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50118577
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)Show SMILES C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24| Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15-,19?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 1E receptor |
J Med Chem 45: 4344-9 (2002)
BindingDB Entry DOI: 10.7270/Q2765G2F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50027065
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 | PDB
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| Article PubMed
| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50582603
(CHEMBL5091373) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to 5-HT1ER (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00110 BindingDB Entry DOI: 10.7270/Q2D50RTX |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
Reactome pathway KEGG
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| PubMed
| 194 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| Article PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50118576
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)Show SMILES C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24| Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13+,15-,19?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 1E receptor |
J Med Chem 45: 4344-9 (2002)
BindingDB Entry DOI: 10.7270/Q2765G2F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| Article PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50007407
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2 | PDB
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| Article PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 228 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| Article PubMed
| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50118579
((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)Show SMILES C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24| Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1 | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity towards 5-hydroxytryptamine 1E receptor |
J Med Chem 45: 4344-9 (2002)
BindingDB Entry DOI: 10.7270/Q2765G2F |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| Article PubMed
| 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50140054
(CHEMBL3752900)Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2 | PDB
Reactome pathway KEGG
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| Article PubMed
| 355 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Alexander Shulgin Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to 5-HT 1E (unknown origin) by competition binding assay |
Bioorg Med Chem Lett 26: 959-64 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50140058
(CHEMBL3752576)Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Alexander Shulgin Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to 5-HT 1E (unknown origin) by competition binding assay |
Bioorg Med Chem Lett 26: 959-64 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50370517
(CHEMBL4163428 | US10954217, Example 00227)Show InChI InChI=1S/C21H25N3O2/c1-22-9-11-23(12-10-22)20-8-7-18-14-24(15-19(18)13-20)21(25)26-16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3 | PDB
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| Article PubMed
| 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description Displacement of [3H]-5-HT from human 5-HT1E receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting method |
Eur J Med Chem 151: 557-567 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.024 BindingDB Entry DOI: 10.7270/Q28918FQ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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| Article PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alberta
Curated by PDSP Ki Database
| |
Neuropharmacology 33: 275-317 (1994)
Article DOI: 10.1016/0028-3908(94)90059-0 BindingDB Entry DOI: 10.7270/Q2M043X2 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
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| 419 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation
Curated by PDSP Ki Database
| |
Mol Pharmacol 42: 180-5 (1992)
BindingDB Entry DOI: 10.7270/Q2416VJ0 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50140053
(CHEMBL3754496)Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Alexander Shulgin Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to 5-HT 1E (unknown origin) by competition binding assay |
Bioorg Med Chem Lett 26: 959-64 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50140056
(CHEMBL3753318)Show InChI InChI=1S/C17H22N2/c1-4-9-19(10-5-2)11-8-15-13-18-17-7-6-14(3)12-16(15)17/h4-7,12-13,18H,1-2,8-11H2,3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Alexander Shulgin Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to 5-HT 1E (unknown origin) by competition binding assay |
Bioorg Med Chem Lett 26: 959-64 (2016)
Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50271706
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| >500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Binding affinity to 5HT1E receptor |
Bioorg Med Chem 16: 6116-23 (2008)
Article DOI: 10.1016/j.bmc.2008.04.050 BindingDB Entry DOI: 10.7270/Q2G73FND |
More data for this Ligand-Target Pair | |