Found 78 hits with Last Name = 'konkel' and Initial = 'mj' 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)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
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| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | Reactome pathway
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | Reactome pathway
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | KEGG
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| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187911
(1,3-dihydro-1-[3-(2-pyrrolidinylethoxy)phenyl]-3-[...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1cccc(OCCN2CCCC2)c1 Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2/b31-25+ | Reactome pathway
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187925
(1-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifl...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1cccc(OCCN2CCCCC2)c1 Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)20-8-6-9-21(18-20)32-26-24-12-2-3-13-25(24)34(27(26)35)22-10-7-11-23(19-22)36-17-16-33-14-4-1-5-15-33/h2-3,6-13,18-19H,1,4-5,14-17H2/b32-26+ | Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187919
(1-(3-(3-(diethylamino)-2-hydroxypropoxy)phenyl)-3-...)Show SMILES CCN(CC)CC(O)COc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H28F3N3O3/c1-3-33(4-2)17-22(35)18-37-23-12-8-11-21(16-23)34-25-14-6-5-13-24(25)26(27(34)36)32-20-10-7-9-19(15-20)28(29,30)31/h5-16,22,35H,3-4,17-18H2,1-2H3/b32-26+ | Reactome pathway
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187923
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+ | Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187923
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+ | Reactome pathway
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human GAL3 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187922
(1-(3-(3-(diethylamino)propoxy)phenyl)-3-(3-(triflu...)Show SMILES CCN(CC)CCCOc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H28F3N3O2/c1-3-33(4-2)16-9-17-36-23-13-8-12-22(19-23)34-25-15-6-5-14-24(25)26(27(34)35)32-21-11-7-10-20(18-21)28(29,30)31/h5-8,10-15,18-19H,3-4,9,16-17H2,1-2H3/b32-26+ | Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | KEGG
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
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| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187912
(1-(3-(2-(dimethylamino)ethoxy)phenyl)-3-(3-(triflu...)Show SMILES CN(C)CCOc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C25H22F3N3O2/c1-30(2)13-14-33-20-10-6-9-19(16-20)31-22-12-4-3-11-21(22)23(24(31)32)29-18-8-5-7-17(15-18)25(26,27)28/h3-12,15-16H,13-14H2,1-2H3/b29-23+ | Reactome pathway
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187908
((S)-1-(3-(3-(diethylamino)-2-hydroxypropoxy)phenyl...)Show SMILES CCN(CC)C[C@H](O)COc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H28F3N3O3/c1-3-33(4-2)17-22(35)18-37-23-12-8-11-21(16-23)34-25-14-6-5-13-24(25)26(27(34)36)32-20-10-7-9-19(15-20)28(29,30)31/h5-16,22,35H,3-4,17-18H2,1-2H3/b32-26+/t22-/m0/s1 | Reactome pathway
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187916
(1-(3-(3-(dimethylamino)propoxy)phenyl)-3-(3-(trifl...)Show SMILES CN(C)CCCOc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C26H24F3N3O2/c1-31(2)14-7-15-34-21-11-6-10-20(17-21)32-23-13-4-3-12-22(23)24(25(32)33)30-19-9-5-8-18(16-19)26(27,28)29/h3-6,8-13,16-17H,7,14-15H2,1-2H3/b30-24+ | Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187918
(1-(4-(3-(diethylamino)propoxy)phenyl)-3-(3-(triflu...)Show SMILES CCN(CC)CCCOc1ccc(cc1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C28H28F3N3O2/c1-3-33(4-2)17-8-18-36-23-15-13-22(14-16-23)34-25-12-6-5-11-24(25)26(27(34)35)32-21-10-7-9-20(19-21)28(29,30)31/h5-7,9-16,19H,3-4,8,17-18H2,1-2H3/b32-26+ | Reactome pathway
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187914
(1-(3-((diethylamino)methoxy)phenyl)-3-(3-(trifluor...)Show SMILES CCN(CC)COc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C26H24F3N3O2/c1-3-31(4-2)17-34-21-12-8-11-20(16-21)32-23-14-6-5-13-22(23)24(25(32)33)30-19-10-7-9-18(15-19)26(27,28)29/h5-16H,3-4,17H2,1-2H3/b30-24+ | Reactome pathway
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187913
(1-(3-(4-(diethylamino)butoxy)phenyl)-3-(3-(trifluo...)Show SMILES CCN(CC)CCCCOc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C29H30F3N3O2/c1-3-34(4-2)17-7-8-18-37-24-14-10-13-23(20-24)35-26-16-6-5-15-25(26)27(28(35)36)33-22-12-9-11-21(19-22)29(30,31)32/h5-6,9-16,19-20H,3-4,7-8,17-18H2,1-2H3/b33-27+ | Reactome pathway
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187926
(1-(3-(3-(pyrrolidin-1-yl)propoxy)phenyl)-3-(3-(tri...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1cccc(OCCCN2CCCC2)c1 Show InChI InChI=1S/C28H26F3N3O2/c29-28(30,31)20-8-5-9-21(18-20)32-26-24-12-1-2-13-25(24)34(27(26)35)22-10-6-11-23(19-22)36-17-7-16-33-14-3-4-15-33/h1-2,5-6,8-13,18-19H,3-4,7,14-17H2/b32-26+ | Reactome pathway
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50189598
(1-(ethylpropyl)-3-{[3-(trifluoromethyl)phenyl]azam...)Show SMILES CCC(CC)N1C(=O)\C(=N\c2ccc(cc2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C20H19F3N2O/c1-3-15(4-2)25-17-8-6-5-7-16(17)18(19(25)26)24-14-11-9-13(10-12-14)20(21,22)23/h5-12,15H,3-4H2,1-2H3/b24-18+ | Reactome pathway
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human GAL3 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | UniProtKB/SwissProt
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | UniProtKB/SwissProt
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187915
(1-(4-(4-(diethylamino)butoxy)phenyl)-3-(3-(trifluo...)Show SMILES CCN(CC)CCCCOc1ccc(cc1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C29H30F3N3O2/c1-3-34(4-2)18-7-8-19-37-24-16-14-23(15-17-24)35-26-13-6-5-12-25(26)27(28(35)36)33-22-11-9-10-21(20-22)29(30,31)32/h5-6,9-17,20H,3-4,7-8,18-19H2,1-2H3/b33-27+ | Reactome pathway
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50187923
(1,3-dihydro-1-phenyl-3-[[3-(trilfluoromethyl)pheny...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H/b25-19+ | PDB
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| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT4 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50187911
(1,3-dihydro-1-[3-(2-pyrrolidinylethoxy)phenyl]-3-[...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1cccc(OCCN2CCCC2)c1 Show InChI InChI=1S/C27H24F3N3O2/c28-27(29,30)19-7-5-8-20(17-19)31-25-23-11-1-2-12-24(23)33(26(25)34)21-9-6-10-22(18-21)35-16-15-32-13-3-4-14-32/h1-2,5-12,17-18H,3-4,13-16H2/b31-25+ | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human adrenergic alpha1A receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187910
(1-(4-(2-(diethylamino)ethoxy)phenyl)-3-(3-(trifluo...)Show SMILES CCN(CC)CCOc1ccc(cc1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C27H26F3N3O2/c1-3-32(4-2)16-17-35-22-14-12-21(13-15-22)33-24-11-6-5-10-23(24)25(26(33)34)31-20-9-7-8-19(18-20)27(28,29)30/h5-15,18H,3-4,16-17H2,1-2H3/b31-25+ | Reactome pathway
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PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187909
(1-(3-(2-(diethylamino)ethoxy)phenyl)-3-(3-(trifluo...)Show SMILES CCN(CC)CCOc1cccc(c1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C27H26F3N3O2/c1-3-32(4-2)15-16-35-22-12-8-11-21(18-22)33-24-14-6-5-13-23(24)25(26(33)34)31-20-10-7-9-19(17-20)27(28,29)30/h5-14,17-18H,3-4,15-16H2,1-2H3/b31-25+ | Reactome pathway
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| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50187917
(1-(4-(2-(dimethylamino)ethoxy)phenyl)-3-(3-(triflu...)Show SMILES CN(C)CCOc1ccc(cc1)N1C(=O)\C(=N\c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C25H22F3N3O2/c1-30(2)14-15-33-20-12-10-19(11-13-20)31-22-9-4-3-8-21(22)23(24(31)32)29-18-7-5-6-17(16-18)25(26,27)28/h3-13,16H,14-15H2,1-2H3/b29-23+ | Reactome pathway
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| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human galanin Gal3 receptor |
Bioorg Med Chem Lett 16: 3950-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.025
BindingDB Entry DOI: 10.7270/Q2DB81F2 |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50189596
(1-(2-propynyl)-3-{[3-(trifluoromethyl)phenyl]azame...)Show SMILES FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(CC#C)c2ccccc12 Show InChI InChI=1S/C18H11F3N2O/c1-2-10-23-15-9-4-3-8-14(15)16(17(23)24)22-13-7-5-6-12(11-13)18(19,20)21/h1,3-9,11H,10H2/b22-16+ | Reactome pathway
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| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human GAL3 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | KEGG
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| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | KEGG
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50099326
(8-{(S)-1-Methyl-2-[4-(2,4,5-trifluoro-phenyl)-pipe...)Show SMILES C[C@@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m0/s1 | Reactome pathway
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| >124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | PDB
Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Galanin receptor type 3
(Homo sapiens (Human)) | BDBM50189600
((E)-1-allyl-3-(3,4-dichlorophenylimino)indolin-2-o...)Show InChI InChI=1S/C17H12Cl2N2O/c1-2-9-21-15-6-4-3-5-12(15)16(17(21)22)20-11-7-8-13(18)14(19)10-11/h2-8,10H,1,9H2/b20-16+ | Reactome pathway
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]galanin from human GAL3 |
J Med Chem 49: 3757-8 (2006)
Article DOI: 10.1021/jm060001n
BindingDB Entry DOI: 10.7270/Q2T72H2B |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | KEGG
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | UniProtKB/SwissProt
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| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
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